N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide

C11H23N3O3S — CID 43597186

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H23N3O3S/c1-17-11-9-12-8-10(11)13-18(15,16)14-6-4-2-3-5-7-14/h10-13H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyGXHIVFADBVZLBU-DTIOYNMSSA-N
MW277.39 g/mol
LogP-0.32
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide (PubChem CID 43597186) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide
PubChem CID43597186
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H23N3O3S/c1-17-11-9-12-8-10(11)13-18(15,16)14-6-4-2-3-5-7-14/h10-13H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyGXHIVFADBVZLBU-DTIOYNMSSA-N
XLogP-0.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide
CID 43597213
N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide
CID 61150579
N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide
CID 76891612
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
CID 63246934
N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
CID 119966821
N-(2-methylpiperidin-3-yl)piperidine-1-sulfonamide;hydrochloride
CID 120726603
N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
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
N-(2-ethylcyclohexyl)azepane-1-sulfonamide
CID 47030327
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 55030433
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrrolidine-1-sulfonamide
CID 70769862

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide (CID 43597186) is N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide?
The InChIKey is GXHIVFADBVZLBU-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-17-11-9-12-8-10(11)13-18(15,16)14-6-4-2-3-5-7-14/h10-13H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide is sourced from PubChem (CID 43597186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).