N-(2-methylpentan-3-yl)propane-1-sulfonamide

C9H21NO2S — CID 61481422

IUPACN-(2-methylpentan-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CC)C(C)C
InChIInChI=1S/C9H21NO2S/c1-5-7-13(11,12)10-9(6-2)8(3)4/h8-10H,5-7H2,1-4H3
InChIKeyYKMTYCNRXLGBAB-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds6

About N-(2-methylpentan-3-yl)propane-1-sulfonamide

N-(2-methylpentan-3-yl)propane-1-sulfonamide (PubChem CID 61481422) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)propane-1-sulfonamide
PubChem CID61481422
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2-methylpentan-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CC)C(C)C
InChIInChI=1S/C9H21NO2S/c1-5-7-13(11,12)10-9(6-2)8(3)4/h8-10H,5-7H2,1-4H3
InChIKeyYKMTYCNRXLGBAB-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(2-methylpentan-3-yl)propane-1-sulfonamide (CID 61481422) is N-(2-methylpentan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methylpentan-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(2-methylpentan-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(CC)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)propane-1-sulfonamide?
The InChIKey is YKMTYCNRXLGBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-7-13(11,12)10-9(6-2)8(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(2-methylpentan-3-yl)propane-1-sulfonamide?
N-(2-methylpentan-3-yl)propane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 61481422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).