N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

C12H22N4O3S — CID 110133205

IUPACN-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCCCn1ccnc1CN1C[C@@H](O)[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C12H22N4O3S/c1-3-5-16-6-4-13-12(16)9-15-7-10(11(17)8-15)14-20(2,18)19/h4,6,10-11,14,17H,3,5,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyBSNBWAJFQXNXNK-GHMZBOCLSA-N
MW302.40 g/mol
LogP-0.61
Rot. Bonds6

About N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 110133205) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID110133205
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCCCn1ccnc1CN1C[C@@H](O)[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C12H22N4O3S/c1-3-5-16-6-4-13-12(16)9-15-7-10(11(17)8-15)14-20(2,18)19/h4,6,10-11,14,17H,3,5,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyBSNBWAJFQXNXNK-GHMZBOCLSA-N
XLogP-0.61
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133087
(3S,4R)-4-(hydroxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 56899943
(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 77098146
(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 99932022
5-ethylsulfonyl-2-[(1-propylimidazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 156604501
N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133078
N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide
CID 110133163
(3aS,6aS)-2-methyl-5-[(1-propylimidazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50958499
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 50968231
2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (CID 110133205) is N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is CCCn1ccnc1CN1C[C@@H](O)[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is BSNBWAJFQXNXNK-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-3-5-16-6-4-13-12(16)9-15-7-10(11(17)8-15)14-20(2,18)19/h4,6,10-11,14,17H,3,5,7-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.61, 6 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-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 110133205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).