4-methoxy-N-methylcycloheptane-1-sulfonamide

C9H19NO3S — CID 165446177

IUPAC4-methoxy-N-methylcycloheptane-1-sulfonamide
SMILESCNS(=O)(=O)C1CCCC(OC)CC1
InChIInChI=1S/C9H19NO3S/c1-10-14(11,12)9-5-3-4-8(13-2)6-7-9/h8-10H,3-7H2,1-2H3
InChIKeyIVRWMAMEWSNZBP-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.88
Rot. Bonds3

About 4-methoxy-N-methylcycloheptane-1-sulfonamide

4-methoxy-N-methylcycloheptane-1-sulfonamide (PubChem CID 165446177) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-methoxy-N-methylcycloheptane-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methylcycloheptane-1-sulfonamide
PubChem CID165446177
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-methoxy-N-methylcycloheptane-1-sulfonamide
SMILESCNS(=O)(=O)C1CCCC(OC)CC1
InChIInChI=1S/C9H19NO3S/c1-10-14(11,12)9-5-3-4-8(13-2)6-7-9/h8-10H,3-7H2,1-2H3
InChIKeyIVRWMAMEWSNZBP-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methylcycloheptane-1-sulfonamide?
The IUPAC name of 4-methoxy-N-methylcycloheptane-1-sulfonamide (CID 165446177) is 4-methoxy-N-methylcycloheptane-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-methylcycloheptane-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-methylcycloheptane-1-sulfonamide is CNS(=O)(=O)C1CCCC(OC)CC1.
What is the InChIKey of 4-methoxy-N-methylcycloheptane-1-sulfonamide?
The InChIKey is IVRWMAMEWSNZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10-14(11,12)9-5-3-4-8(13-2)6-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-methoxy-N-methylcycloheptane-1-sulfonamide?
4-methoxy-N-methylcycloheptane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylcycloheptane-1-sulfonamide is sourced from PubChem (CID 165446177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).