cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide

C11H23NO3S — CID 165487230

IUPACcis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide
SMILESCO[C@@H]1CCCCC[C@@H]1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H23NO3S/c1-9(2)12-16(13,14)11-8-6-4-5-7-10(11)15-3/h9-12H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeyGXLSVQUQYHTXJK-MNOVXSKESA-N
MW249.38 g/mol
LogP1.66
Rot. Bonds4

About cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide

cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide (PubChem CID 165487230) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide
PubChem CID165487230
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Namecis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide
SMILESCO[C@@H]1CCCCC[C@@H]1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H23NO3S/c1-9(2)12-16(13,14)11-8-6-4-5-7-10(11)15-3/h9-12H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeyGXLSVQUQYHTXJK-MNOVXSKESA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide?
The IUPAC name of cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide (CID 165487230) is cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide.
What is the SMILES notation for cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide?
The canonical SMILES for cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide is CO[C@@H]1CCCCC[C@@H]1S(=O)(=O)NC(C)C.
What is the InChIKey of cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide?
The InChIKey is GXLSVQUQYHTXJK-MNOVXSKESA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)12-16(13,14)11-8-6-4-5-7-10(11)15-3/h9-12H,4-8H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide?
cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide is sourced from PubChem (CID 165487230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).