N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide

C15H20N4O2S — CID 18156175

IUPACN-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C15H20N4O2S/c1-12(2)19-22(20,21)11-14-6-4-13(5-7-14)10-18-15-16-8-3-9-17-15/h3-9,12,19H,10-11H2,1-2H3,(H,16,17,18)
InChIKeyMWHOMIUDDKNUJQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.92
Rot. Bonds7

About N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide

N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide (PubChem CID 18156175) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
PubChem CID18156175
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C15H20N4O2S/c1-12(2)19-22(20,21)11-14-6-4-13(5-7-14)10-18-15-16-8-3-9-17-15/h3-9,12,19H,10-11H2,1-2H3,(H,16,17,18)
InChIKeyMWHOMIUDDKNUJQ-UHFFFAOYSA-N
XLogP1.92
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110968014
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55929746
N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 24606064
2-methyl-1-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111194012
1-[4-[(2-cyano-3-fluoroanilino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 31539880
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 47015636
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110952456
2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 36607768
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110952455
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide (CID 18156175) is N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide is CC(C)NS(=O)(=O)Cc1ccc(CNc2ncccn2)cc1.
What is the InChIKey of N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide?
The InChIKey is MWHOMIUDDKNUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-12(2)19-22(20,21)11-14-6-4-13(5-7-14)10-18-15-16-8-3-9-17-15/h3-9,12,19H,10-11H2,1-2H3,(H,16,17,18).
What are the key properties of N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide?
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 18156175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).