N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide

C8H18N2O3S — CID 76891612

IUPACN-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide
SMILESCOC1CNCC1NS(=O)(=O)C(C)C
InChIInChI=1S/C8H18N2O3S/c1-6(2)14(11,12)10-7-4-9-5-8(7)13-3/h6-10H,4-5H2,1-3H3
InChIKeyKNWLDPOXJIXXQU-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.70
Rot. Bonds4

About N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide

N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide (PubChem CID 76891612) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide
PubChem CID76891612
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide
SMILESCOC1CNCC1NS(=O)(=O)C(C)C
InChIInChI=1S/C8H18N2O3S/c1-6(2)14(11,12)10-7-4-9-5-8(7)13-3/h6-10H,4-5H2,1-3H3
InChIKeyKNWLDPOXJIXXQU-UHFFFAOYSA-N
XLogP-0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide
CID 61150579
N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide
CID 43597186
N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide
CID 43597213
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
CID 63246934
1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
CID 74884463
3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597244
3-bromo-4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597234
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide
CID 62374628
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43597155
2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597247
2-bromo-4-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 61142760
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 55030433

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide (CID 76891612) is N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide is COC1CNCC1NS(=O)(=O)C(C)C.
What is the InChIKey of N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide?
The InChIKey is KNWLDPOXJIXXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-6(2)14(11,12)10-7-4-9-5-8(7)13-3/h6-10H,4-5H2,1-3H3.
What are the key properties of N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide?
N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 76891612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).