N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide

C11H22N2O4S — CID 131899672

IUPACN-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide
SMILESCO[C@H]1COC[C@@H]1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O4S/c1-16-11-9-17-8-10(11)12-18(14,15)13-6-4-2-3-5-7-13/h10-12H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyCNRWHLXTDNMONB-QWRGUYRKSA-N
MW278.37 g/mol
LogP0.11
Rot. Bonds4

About N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide

N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide (PubChem CID 131899672) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide
PubChem CID131899672
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide
SMILESCO[C@H]1COC[C@@H]1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O4S/c1-16-11-9-17-8-10(11)12-18(14,15)13-6-4-2-3-5-7-13/h10-12H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyCNRWHLXTDNMONB-QWRGUYRKSA-N
XLogP0.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide?
The IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide (CID 131899672) is N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide?
The canonical SMILES for N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide is CO[C@H]1COC[C@@H]1NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide?
The InChIKey is CNRWHLXTDNMONB-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-16-11-9-17-8-10(11)12-18(14,15)13-6-4-2-3-5-7-13/h10-12H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide?
N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide has a molecular weight of 278.37 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxyoxolan-3-yl]azepane-1-sulfonamide is sourced from PubChem (CID 131899672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).