4-methyl-1,1-dioxothian-4-amine

C6H13NO2S — CID 58641892

IUPAC4-methyl-1,1-dioxothian-4-amine
SMILESCC1(N)CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO2S/c1-6(7)2-4-10(8,9)5-3-6/h2-5,7H2,1H3
InChIKeyHMFWRDOVBBANOO-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.09
Rot. Bonds

About 4-methyl-1,1-dioxothian-4-amine

4-methyl-1,1-dioxothian-4-amine (PubChem CID 58641892) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name4-methyl-1,1-dioxothian-4-amine
PubChem CID58641892
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name4-methyl-1,1-dioxothian-4-amine
SMILESCC1(N)CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO2S/c1-6(7)2-4-10(8,9)5-3-6/h2-5,7H2,1H3
InChIKeyHMFWRDOVBBANOO-UHFFFAOYSA-N
XLogP-0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1,1-dioxothian-4-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

4-methyl-1,1-dioxothian-4-ol
CID 58387715
carbanide;1-methylcyclohexan-1-amine;vanadium
CID 159436191
(4-methyl-1,1-dioxothian-4-yl)methanol
CID 129107203
1-methylcyclobutan-1-amine;hydrochloride
CID 18332449
(3R)-3-methyl-1,1-dioxothiolan-3-ol
CID 95023797
4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol
CID 105460996
4-methyl-1,1-dioxo-N-propan-2-ylthian-4-amine
CID 146946507
4-(1-aminoethyl)-1,1-dioxothian-4-ol
CID 105447453
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
CID 7059068
methyl 2-(4-amino-1,1-dioxothian-4-yl)acetate
CID 75356327
6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride
CID 134828352
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxothian-4-amine?
The IUPAC name of 4-methyl-1,1-dioxothian-4-amine (CID 58641892) is 4-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for 4-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for 4-methyl-1,1-dioxothian-4-amine is CC1(N)CCS(=O)(=O)CC1.
What is the InChIKey of 4-methyl-1,1-dioxothian-4-amine?
The InChIKey is HMFWRDOVBBANOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(7)2-4-10(8,9)5-3-6/h2-5,7H2,1H3.
What are the key properties of 4-methyl-1,1-dioxothian-4-amine?
4-methyl-1,1-dioxothian-4-amine has a molecular weight of 163.24 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 58641892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).