N-methyl-N-(3-methylbutyl)propane-2-sulfonamide

C9H21NO2S — CID 61355536

IUPACN-methyl-N-(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)6-7-10(5)13(11,12)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyAJDMBFIGLIQHQJ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.70
Rot. Bonds5

About N-methyl-N-(3-methylbutyl)propane-2-sulfonamide

N-methyl-N-(3-methylbutyl)propane-2-sulfonamide (PubChem CID 61355536) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)propane-2-sulfonamide
PubChem CID61355536
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-methyl-N-(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)6-7-10(5)13(11,12)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyAJDMBFIGLIQHQJ-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)propane-2-sulfonamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)propane-2-sulfonamide (CID 61355536) is N-methyl-N-(3-methylbutyl)propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)propane-2-sulfonamide is CC(C)CCN(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutyl)propane-2-sulfonamide?
The InChIKey is AJDMBFIGLIQHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)6-7-10(5)13(11,12)9(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutyl)propane-2-sulfonamide?
N-methyl-N-(3-methylbutyl)propane-2-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 61355536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).