1-(1,1-dioxothiolan-3-yl)pentan-2-amine

C9H19NO2S — CID 61058176

IUPAC1-(1,1-dioxothiolan-3-yl)pentan-2-amine
SMILESCCCC(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO2S/c1-2-3-9(10)6-8-4-5-13(11,12)7-8/h8-9H,2-7,10H2,1H3
InChIKeyTUCBJYDBVGXRTR-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)pentan-2-amine

1-(1,1-dioxothiolan-3-yl)pentan-2-amine (PubChem CID 61058176) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)pentan-2-amine
PubChem CID61058176
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)pentan-2-amine
SMILESCCCC(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO2S/c1-2-3-9(10)6-8-4-5-13(11,12)7-8/h8-9H,2-7,10H2,1H3
InChIKeyTUCBJYDBVGXRTR-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxothiolan-3-yl)pentan-2-amine 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

3-Thiophenethylamine, tetrahydro-alpha-methyl-, 1,1-dioxide, hydrochloride
CID 200358
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
1-(1,1-Dioxothiolan-3-yl)propan-2-amine
CID 200359
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 105156305
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-amine
CID 105156314
1-(1,1-dioxothiolan-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 105156428
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 105156458
1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 105174291
1-(1,1-dioxothiolan-3-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105174416
1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105174443
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-amine
CID 105449123
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-amine
CID 105463169

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)pentan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)pentan-2-amine (CID 61058176) is 1-(1,1-dioxothiolan-3-yl)pentan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)pentan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)pentan-2-amine is CCCC(N)CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)pentan-2-amine?
The InChIKey is TUCBJYDBVGXRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-3-9(10)6-8-4-5-13(11,12)7-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)pentan-2-amine?
1-(1,1-dioxothiolan-3-yl)pentan-2-amine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)pentan-2-amine is sourced from PubChem (CID 61058176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).