N-(4-methylpentyl)propane-1-sulfonamide

C9H21NO2S — CID 61383791

IUPACN-(4-methylpentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCC(C)C
InChIInChI=1S/C9H21NO2S/c1-4-8-13(11,12)10-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyRDNRYJXRCIXDPW-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds7

About N-(4-methylpentyl)propane-1-sulfonamide

N-(4-methylpentyl)propane-1-sulfonamide (PubChem CID 61383791) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(4-methylpentyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpentyl)propane-1-sulfonamide
PubChem CID61383791
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(4-methylpentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCC(C)C
InChIInChI=1S/C9H21NO2S/c1-4-8-13(11,12)10-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyRDNRYJXRCIXDPW-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-methylpentyl)propane-1-sulfonamide?
The IUPAC name of N-(4-methylpentyl)propane-1-sulfonamide (CID 61383791) is N-(4-methylpentyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-methylpentyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-methylpentyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCCC(C)C.
What is the InChIKey of N-(4-methylpentyl)propane-1-sulfonamide?
The InChIKey is RDNRYJXRCIXDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-8-13(11,12)10-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(4-methylpentyl)propane-1-sulfonamide?
N-(4-methylpentyl)propane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)propane-1-sulfonamide is sourced from PubChem (CID 61383791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).