N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

C10H18N4O3S — CID 110133087

IUPACN-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCn1cnc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)c1
InChIInChI=1S/C10H18N4O3S/c1-13-3-8(11-7-13)4-14-5-9(10(15)6-14)12-18(2,16)17/h3,7,9-10,12,15H,4-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyMJGXINYELUSFTN-NXEZZACHSA-N
MW274.35 g/mol
LogP-1.49
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 110133087) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID110133087
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCn1cnc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)c1
InChIInChI=1S/C10H18N4O3S/c1-13-3-8(11-7-13)4-14-5-9(10(15)6-14)12-18(2,16)17/h3,7,9-10,12,15H,4-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyMJGXINYELUSFTN-NXEZZACHSA-N
XLogP-1.49
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (CID 110133087) is N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is Cn1cnc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)c1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MJGXINYELUSFTN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-13-3-8(11-7-13)4-14-5-9(10(15)6-14)12-18(2,16)17/h3,7,9-10,12,15H,4-6H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of -1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 110133087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).