N-cycloheptylpropane-2-sulfonamide

C10H21NO2S — CID 61360834

IUPACN-cycloheptylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C10H21NO2S/c1-9(2)14(12,13)11-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3
InChIKeyZESRNTJWOCETPR-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.04
Rot. Bonds3

About N-cycloheptylpropane-2-sulfonamide

N-cycloheptylpropane-2-sulfonamide (PubChem CID 61360834) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-cycloheptylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-cycloheptylpropane-2-sulfonamide
PubChem CID61360834
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-cycloheptylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C10H21NO2S/c1-9(2)14(12,13)11-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3
InChIKeyZESRNTJWOCETPR-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptylpropane-2-sulfonamide?
The IUPAC name of N-cycloheptylpropane-2-sulfonamide (CID 61360834) is N-cycloheptylpropane-2-sulfonamide.
What is the SMILES notation for N-cycloheptylpropane-2-sulfonamide?
The canonical SMILES for N-cycloheptylpropane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptylpropane-2-sulfonamide?
The InChIKey is ZESRNTJWOCETPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)14(12,13)11-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-cycloheptylpropane-2-sulfonamide?
N-cycloheptylpropane-2-sulfonamide has a molecular weight of 219.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylpropane-2-sulfonamide is sourced from PubChem (CID 61360834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).