N-(3-cyanopropyl)hexane-2-sulfonamide

C10H20N2O2S — CID 151612220

IUPACN-(3-cyanopropyl)hexane-2-sulfonamide
SMILESCCCCC(C)S(=O)(=O)NCCCC#N
InChIInChI=1S/C10H20N2O2S/c1-3-4-7-10(2)15(13,14)12-9-6-5-8-11/h10,12H,3-7,9H2,1-2H3
InChIKeyQMSVFFCQHYJVBE-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.79
Rot. Bonds8

About N-(3-cyanopropyl)hexane-2-sulfonamide

N-(3-cyanopropyl)hexane-2-sulfonamide (PubChem CID 151612220) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-cyanopropyl)hexane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)hexane-2-sulfonamide
PubChem CID151612220
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(3-cyanopropyl)hexane-2-sulfonamide
SMILESCCCCC(C)S(=O)(=O)NCCCC#N
InChIInChI=1S/C10H20N2O2S/c1-3-4-7-10(2)15(13,14)12-9-6-5-8-11/h10,12H,3-7,9H2,1-2H3
InChIKeyQMSVFFCQHYJVBE-UHFFFAOYSA-N
XLogP1.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)hexane-2-sulfonamide?
The IUPAC name of N-(3-cyanopropyl)hexane-2-sulfonamide (CID 151612220) is N-(3-cyanopropyl)hexane-2-sulfonamide.
What is the SMILES notation for N-(3-cyanopropyl)hexane-2-sulfonamide?
The canonical SMILES for N-(3-cyanopropyl)hexane-2-sulfonamide is CCCCC(C)S(=O)(=O)NCCCC#N.
What is the InChIKey of N-(3-cyanopropyl)hexane-2-sulfonamide?
The InChIKey is QMSVFFCQHYJVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-4-7-10(2)15(13,14)12-9-6-5-8-11/h10,12H,3-7,9H2,1-2H3.
What are the key properties of N-(3-cyanopropyl)hexane-2-sulfonamide?
N-(3-cyanopropyl)hexane-2-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)hexane-2-sulfonamide is sourced from PubChem (CID 151612220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).