N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide

C18H25N5O3S — CID 146112671

IUPACN-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)c1
InChIInChI=1S/C18H25N5O3S/c1-13-5-4-6-16(7-13)27(25,26)21-10-14-8-15(24)11-23(14)18-9-17(22(2)3)19-12-20-18/h4-7,9,12,14-15,21,24H,8,10-11H2,1-3H3/t14-,15-/m1/s1
InChIKeySYEGPTRTULXPII-HUUCEWRRSA-N
MW391.50 g/mol
LogP0.77
Rot. Bonds6

About N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide

N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide (PubChem CID 146112671) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide
PubChem CID146112671
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)c1
InChIInChI=1S/C18H25N5O3S/c1-13-5-4-6-16(7-13)27(25,26)21-10-14-8-15(24)11-23(14)18-9-17(22(2)3)19-12-20-18/h4-7,9,12,14-15,21,24H,8,10-11H2,1-3H3/t14-,15-/m1/s1
InChIKeySYEGPTRTULXPII-HUUCEWRRSA-N
XLogP0.77
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide
CID 146113624
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-3-ol
CID 146112893
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[(5,6,7,8-tetrahydroquinolin-5-ylamino)methyl]pyrrolidin-3-ol
CID 166285882
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 167883421
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[[1H-imidazol-5-yl(phenyl)methyl]amino]methyl]pyrrolidin-3-ol
CID 146153814
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 146113339
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
CID 106126034
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710191
3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166285971

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide (CID 146112671) is N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)c1.
What is the InChIKey of N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide?
The InChIKey is SYEGPTRTULXPII-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-13-5-4-6-16(7-13)27(25,26)21-10-14-8-15(24)11-23(14)18-9-17(22(2)3)19-12-20-18/h4-7,9,12,14-15,21,24H,8,10-11H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide?
N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide has a molecular weight of 391.50 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 146112671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).