N-propan-2-ylmethanesulfinamide

C4H11NOS — CID 14896695

IUPACN-propan-2-ylmethanesulfinamide
SMILESCC(C)NS(C)=O
InChIInChI=1S/C4H11NOS/c1-4(2)5-7(3)6/h4-5H,1-3H3
InChIKeyIKNHOFJOFMJHJL-UHFFFAOYSA-N
MW121.20 g/mol
LogP0.28
Rot. Bonds2

About N-propan-2-ylmethanesulfinamide

N-propan-2-ylmethanesulfinamide (PubChem CID 14896695) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is N-propan-2-ylmethanesulfinamide.

Molecular Properties

Compound NameN-propan-2-ylmethanesulfinamide
PubChem CID14896695
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC NameN-propan-2-ylmethanesulfinamide
SMILESCC(C)NS(C)=O
InChIInChI=1S/C4H11NOS/c1-4(2)5-7(3)6/h4-5H,1-3H3
InChIKeyIKNHOFJOFMJHJL-UHFFFAOYSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylmethanesulfinamide?
The IUPAC name of N-propan-2-ylmethanesulfinamide (CID 14896695) is N-propan-2-ylmethanesulfinamide.
What is the SMILES notation for N-propan-2-ylmethanesulfinamide?
The canonical SMILES for N-propan-2-ylmethanesulfinamide is CC(C)NS(C)=O.
What is the InChIKey of N-propan-2-ylmethanesulfinamide?
The InChIKey is IKNHOFJOFMJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(2)5-7(3)6/h4-5H,1-3H3.
What are the key properties of N-propan-2-ylmethanesulfinamide?
N-propan-2-ylmethanesulfinamide has a molecular weight of 121.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylmethanesulfinamide is sourced from PubChem (CID 14896695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).