N-propan-2-ylethanesulfinamide

C5H13NOS — CID 14896696

IUPACN-propan-2-ylethanesulfinamide
SMILESCCS(=O)NC(C)C
InChIInChI=1S/C5H13NOS/c1-4-8(7)6-5(2)3/h5-6H,4H2,1-3H3
InChIKeyODPDQUVWRROXDL-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.67
Rot. Bonds3

About N-propan-2-ylethanesulfinamide

N-propan-2-ylethanesulfinamide (PubChem CID 14896696) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N-propan-2-ylethanesulfinamide.

Molecular Properties

Compound NameN-propan-2-ylethanesulfinamide
PubChem CID14896696
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN-propan-2-ylethanesulfinamide
SMILESCCS(=O)NC(C)C
InChIInChI=1S/C5H13NOS/c1-4-8(7)6-5(2)3/h5-6H,4H2,1-3H3
InChIKeyODPDQUVWRROXDL-UHFFFAOYSA-N
XLogP0.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(propan-2-yl)ethane-1-sulfonamide hydrochloride
CID 47002472
N-cyclopropylpropane-2-sulfonamide
CID 57881411
1-Methanesulfinylpropan-2-amine
CID 58684000
4-Methanesulfinylbutan-2-amine hydrochloride
CID 54595490
4-Methanesulfinylbutan-2-amine
CID 54595491
(2R)-2-aminopropane-1-sulfonamide
CID 137952112
2-fluoro-N-propan-2-ylethanesulfonamide
CID 168726693
n-Butylethanesulfinamide
CID 546320
N-cyclopropylethanesulfonamide
CID 3362890
N-propan-2-ylethanesulfonamide
CID 4177239
N-butan-2-ylethanesulfonamide
CID 5091177
N-propan-2-ylmethanesulfinamide
CID 14896695

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylethanesulfinamide?
The IUPAC name of N-propan-2-ylethanesulfinamide (CID 14896696) is N-propan-2-ylethanesulfinamide.
What is the SMILES notation for N-propan-2-ylethanesulfinamide?
The canonical SMILES for N-propan-2-ylethanesulfinamide is CCS(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylethanesulfinamide?
The InChIKey is ODPDQUVWRROXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-4-8(7)6-5(2)3/h5-6H,4H2,1-3H3.
What are the key properties of N-propan-2-ylethanesulfinamide?
N-propan-2-ylethanesulfinamide has a molecular weight of 135.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylethanesulfinamide is sourced from PubChem (CID 14896696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).