N-(1-methylcyclobutyl)methanesulfinamide

C6H13NOS — CID 135295660

IUPACN-(1-methylcyclobutyl)methanesulfinamide
SMILESCS(=O)NC1(C)CCC1
InChIInChI=1S/C6H13NOS/c1-6(4-3-5-6)7-9(2)8/h7H,3-5H2,1-2H3
InChIKeyKPBDFMFFTULYDW-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.81
Rot. Bonds2

About N-(1-methylcyclobutyl)methanesulfinamide

N-(1-methylcyclobutyl)methanesulfinamide (PubChem CID 135295660) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)methanesulfinamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)methanesulfinamide
PubChem CID135295660
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(1-methylcyclobutyl)methanesulfinamide
SMILESCS(=O)NC1(C)CCC1
InChIInChI=1S/C6H13NOS/c1-6(4-3-5-6)7-9(2)8/h7H,3-5H2,1-2H3
InChIKeyKPBDFMFFTULYDW-UHFFFAOYSA-N
XLogP0.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)methanesulfinamide?
The IUPAC name of N-(1-methylcyclobutyl)methanesulfinamide (CID 135295660) is N-(1-methylcyclobutyl)methanesulfinamide.
What is the SMILES notation for N-(1-methylcyclobutyl)methanesulfinamide?
The canonical SMILES for N-(1-methylcyclobutyl)methanesulfinamide is CS(=O)NC1(C)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)methanesulfinamide?
The InChIKey is KPBDFMFFTULYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(4-3-5-6)7-9(2)8/h7H,3-5H2,1-2H3.
What are the key properties of N-(1-methylcyclobutyl)methanesulfinamide?
N-(1-methylcyclobutyl)methanesulfinamide has a molecular weight of 147.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)methanesulfinamide is sourced from PubChem (CID 135295660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).