N-methylheptane-3-sulfonamide

C8H19NO2S — CID 85325221

IUPACN-methylheptane-3-sulfonamide
SMILESCCCCC(CC)S(=O)(=O)NC
InChIInChI=1S/C8H19NO2S/c1-4-6-7-8(5-2)12(10,11)9-3/h8-9H,4-7H2,1-3H3
InChIKeyHYYLEORDVFNOBQ-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.50
Rot. Bonds6

About N-methylheptane-3-sulfonamide

N-methylheptane-3-sulfonamide (PubChem CID 85325221) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-methylheptane-3-sulfonamide.

Molecular Properties

Compound NameN-methylheptane-3-sulfonamide
PubChem CID85325221
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-methylheptane-3-sulfonamide
SMILESCCCCC(CC)S(=O)(=O)NC
InChIInChI=1S/C8H19NO2S/c1-4-6-7-8(5-2)12(10,11)9-3/h8-9H,4-7H2,1-3H3
InChIKeyHYYLEORDVFNOBQ-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methylheptane-3-sulfonamide?
The IUPAC name of N-methylheptane-3-sulfonamide (CID 85325221) is N-methylheptane-3-sulfonamide.
What is the SMILES notation for N-methylheptane-3-sulfonamide?
The canonical SMILES for N-methylheptane-3-sulfonamide is CCCCC(CC)S(=O)(=O)NC.
What is the InChIKey of N-methylheptane-3-sulfonamide?
The InChIKey is HYYLEORDVFNOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-6-7-8(5-2)12(10,11)9-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methylheptane-3-sulfonamide?
N-methylheptane-3-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylheptane-3-sulfonamide is sourced from PubChem (CID 85325221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).