(2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide

C9H19NO3S — CID 164632063

IUPAC(2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide
SMILESCC[C@@H](CS(=O)(=O)NC1CCC1)OC
InChIInChI=1S/C9H19NO3S/c1-3-9(13-2)7-14(11,12)10-8-5-4-6-8/h8-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyKXDSJOIPNKBOFK-VIFPVBQESA-N
MW221.32 g/mol
LogP0.88
Rot. Bonds6

About (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide

(2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide (PubChem CID 164632063) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide
PubChem CID164632063
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide
SMILESCC[C@@H](CS(=O)(=O)NC1CCC1)OC
InChIInChI=1S/C9H19NO3S/c1-3-9(13-2)7-14(11,12)10-8-5-4-6-8/h8-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyKXDSJOIPNKBOFK-VIFPVBQESA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide?
The IUPAC name of (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide (CID 164632063) is (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide.
What is the SMILES notation for (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide?
The canonical SMILES for (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide is CC[C@@H](CS(=O)(=O)NC1CCC1)OC.
What is the InChIKey of (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide?
The InChIKey is KXDSJOIPNKBOFK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-9(13-2)7-14(11,12)10-8-5-4-6-8/h8-10H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide?
(2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide is sourced from PubChem (CID 164632063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).