N-(3-methylbutyl)methanesulfinamide

C6H15NOS — CID 146684645

IUPACN-(3-methylbutyl)methanesulfinamide
SMILESCC(C)CCNS(C)=O
InChIInChI=1S/C6H15NOS/c1-6(2)4-5-7-9(3)8/h6-7H,4-5H2,1-3H3
InChIKeyJHQRXBPSJKWMKP-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.92
Rot. Bonds4

About N-(3-methylbutyl)methanesulfinamide

N-(3-methylbutyl)methanesulfinamide (PubChem CID 146684645) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is N-(3-methylbutyl)methanesulfinamide.

Molecular Properties

Compound NameN-(3-methylbutyl)methanesulfinamide
PubChem CID146684645
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC NameN-(3-methylbutyl)methanesulfinamide
SMILESCC(C)CCNS(C)=O
InChIInChI=1S/C6H15NOS/c1-6(2)4-5-7-9(3)8/h6-7H,4-5H2,1-3H3
InChIKeyJHQRXBPSJKWMKP-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-methylbutyl)methanesulfinamide 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 N-(3-methylbutyl)methanesulfinamide?
The IUPAC name of N-(3-methylbutyl)methanesulfinamide (CID 146684645) is N-(3-methylbutyl)methanesulfinamide.
What is the SMILES notation for N-(3-methylbutyl)methanesulfinamide?
The canonical SMILES for N-(3-methylbutyl)methanesulfinamide is CC(C)CCNS(C)=O.
What is the InChIKey of N-(3-methylbutyl)methanesulfinamide?
The InChIKey is JHQRXBPSJKWMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(2)4-5-7-9(3)8/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(3-methylbutyl)methanesulfinamide?
N-(3-methylbutyl)methanesulfinamide has a molecular weight of 149.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)methanesulfinamide is sourced from PubChem (CID 146684645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).