N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide

C16H24N2O3S — CID 128574882

IUPACN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)NCC2CC(O)CN2Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-16(7-8-16)22(20,21)17-10-14-9-15(19)12-18(14)11-13-5-3-2-4-6-13/h2-6,14-15,17,19H,7-12H2,1H3
InChIKeyGWMSTZLCKHVEAP-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.09
Rot. Bonds6

About N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide

N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide (PubChem CID 128574882) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
PubChem CID128574882
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)NCC2CC(O)CN2Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-16(7-8-16)22(20,21)17-10-14-9-15(19)12-18(14)11-13-5-3-2-4-6-13/h2-6,14-15,17,19H,7-12H2,1H3
InChIKeyGWMSTZLCKHVEAP-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
CID 155959673
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
CID 97078882
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 167925784
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
CID 110012487
N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 97069938
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110028208
1-benzyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 86786895
N-[[(2R,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-fluoro-6-hydroxybenzamide
CID 99822735
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 124840859
2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 167856093
5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 18538363

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide (CID 128574882) is N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide is CC1(S(=O)(=O)NCC2CC(O)CN2Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide?
The InChIKey is GWMSTZLCKHVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(7-8-16)22(20,21)17-10-14-9-15(19)12-18(14)11-13-5-3-2-4-6-13/h2-6,14-15,17,19H,7-12H2,1H3.
What are the key properties of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide?
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 128574882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).