N-(1-hydroxypentan-3-yl)methanesulfinamide

C6H15NO2S — CID 127006197

IUPACN-(1-hydroxypentan-3-yl)methanesulfinamide
SMILESCCC(CCO)NS(C)=O
InChIInChI=1S/C6H15NO2S/c1-3-6(4-5-8)7-10(2)9/h6-8H,3-5H2,1-2H3
InChIKeyFQIZODVSFOWOFD-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.03
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)methanesulfinamide

N-(1-hydroxypentan-3-yl)methanesulfinamide (PubChem CID 127006197) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)methanesulfinamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)methanesulfinamide
PubChem CID127006197
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(1-hydroxypentan-3-yl)methanesulfinamide
SMILESCCC(CCO)NS(C)=O
InChIInChI=1S/C6H15NO2S/c1-3-6(4-5-8)7-10(2)9/h6-8H,3-5H2,1-2H3
InChIKeyFQIZODVSFOWOFD-UHFFFAOYSA-N
XLogP0.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxypentan-3-yl)methanesulfinamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
CID 103513993
5-(1-hydroxypentan-3-ylamino)pentanoic acid
CID 103267708
N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
CID 109479134
3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol
CID 107760145
N-(1-hydroxypentan-3-yl)pent-4-ynamide
CID 107262073
N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide
CID 109479267
3-(cyclopropylamino)pentan-1-ol
CID 83815190
N-pentan-2-ylmethanesulfinamide
CID 123141718
N-(1-hydroxypentan-3-yl)but-2-ynamide
CID 107262074
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
N,N'-bis(1-methylsulfinylbutan-2-yl)ethane-1,2-diamine
CID 16727463

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)methanesulfinamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)methanesulfinamide (CID 127006197) is N-(1-hydroxypentan-3-yl)methanesulfinamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)methanesulfinamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)methanesulfinamide is CCC(CCO)NS(C)=O.
What is the InChIKey of N-(1-hydroxypentan-3-yl)methanesulfinamide?
The InChIKey is FQIZODVSFOWOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-3-6(4-5-8)7-10(2)9/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(1-hydroxypentan-3-yl)methanesulfinamide?
N-(1-hydroxypentan-3-yl)methanesulfinamide has a molecular weight of 165.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)methanesulfinamide is sourced from PubChem (CID 127006197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).