3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine

C8H17NO2S2 — CID 66231196

IUPAC3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine
SMILESCC(CCN)SC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S2/c1-7(2-4-9)12-8-3-5-13(10,11)6-8/h7-8H,2-6,9H2,1H3
InChIKeyNGNXMBOXAXYEJW-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.64
Rot. Bonds4

About 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine

3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine (PubChem CID 66231196) has the molecular formula C8H17NO2S2 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine
PubChem CID66231196
Molecular FormulaC8H17NO2S2
Molecular Weight223.36 g/mol
Exact Mass223.07
IUPAC Name3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine
SMILESCC(CCN)SC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S2/c1-7(2-4-9)12-8-3-5-13(10,11)6-8/h7-8H,2-6,9H2,1H3
InChIKeyNGNXMBOXAXYEJW-UHFFFAOYSA-N
XLogP0.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-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-cyclohexylsulfanylbutan-1-amine
CID 60913150
2-(4-aminobutan-2-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 66230925
(3R)-3-methylsulfanylthiolane 1,1-dioxide
CID 51415830
3-(1,1-dioxothiolan-3-yl)-4,4-difluorobutan-1-amine
CID 115036098
2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
CID 106440988
N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080824
3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine
CID 79408822
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62780382
ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411
methyl 2-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43406890

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine (CID 66231196) is 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine is CC(CCN)SC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine?
The InChIKey is NGNXMBOXAXYEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S2/c1-7(2-4-9)12-8-3-5-13(10,11)6-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine?
3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine is sourced from PubChem (CID 66231196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).