6-methyl-1-oxo-6-propan-2-ylthian-3-amine

C9H19NOS — CID 91460179

IUPAC6-methyl-1-oxo-6-propan-2-ylthian-3-amine
SMILESCC(C)C1(C)CCC(N)CS1=O
InChIInChI=1S/C9H19NOS/c1-7(2)9(3)5-4-8(10)6-12(9)11/h7-8H,4-6,10H2,1-3H3
InChIKeyFQOMHVCCPIWTRX-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.27
Rot. Bonds1

About 6-methyl-1-oxo-6-propan-2-ylthian-3-amine

6-methyl-1-oxo-6-propan-2-ylthian-3-amine (PubChem CID 91460179) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 6-methyl-1-oxo-6-propan-2-ylthian-3-amine.

Molecular Properties

Compound Name6-methyl-1-oxo-6-propan-2-ylthian-3-amine
PubChem CID91460179
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name6-methyl-1-oxo-6-propan-2-ylthian-3-amine
SMILESCC(C)C1(C)CCC(N)CS1=O
InChIInChI=1S/C9H19NOS/c1-7(2)9(3)5-4-8(10)6-12(9)11/h7-8H,4-6,10H2,1-3H3
InChIKeyFQOMHVCCPIWTRX-UHFFFAOYSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1-oxo-6-propan-2-ylthian-3-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-Fluoro-3-(thian-3-yl)butan-2-amine
CID 105445585
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-amine
CID 105463169
1-(1,1-Dioxothian-4-yl)-1-fluoropropan-2-amine
CID 105463170
3-(1,1-Dioxothian-3-yl)-3-fluorobutan-2-amine
CID 105480910
3-(1,1-Dioxothian-4-yl)-3-fluorobutan-2-amine
CID 105480911
3-(1,1-Dioxothian-3-yl)-3-fluorobutan-1-amine
CID 105480913
3-(2-Fluoropropyl)-1,1-dioxothian-4-amine
CID 115026485
4-(2-Fluoropropyl)-1,1-dioxothian-3-amine
CID 115026487
[3-(2-Fluoropropyl)-1,1-dioxothian-4-yl]methanamine
CID 115034072
3-(1,1-Dioxothian-3-yl)-4-fluoropentan-1-amine
CID 115042195
6-Ethyl-5-methylthian-3-amine
CID 58388285
6,6-Dimethyl-1-oxothian-3-amine
CID 59657952

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxo-6-propan-2-ylthian-3-amine?
The IUPAC name of 6-methyl-1-oxo-6-propan-2-ylthian-3-amine (CID 91460179) is 6-methyl-1-oxo-6-propan-2-ylthian-3-amine.
What is the SMILES notation for 6-methyl-1-oxo-6-propan-2-ylthian-3-amine?
The canonical SMILES for 6-methyl-1-oxo-6-propan-2-ylthian-3-amine is CC(C)C1(C)CCC(N)CS1=O.
What is the InChIKey of 6-methyl-1-oxo-6-propan-2-ylthian-3-amine?
The InChIKey is FQOMHVCCPIWTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(2)9(3)5-4-8(10)6-12(9)11/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 6-methyl-1-oxo-6-propan-2-ylthian-3-amine?
6-methyl-1-oxo-6-propan-2-ylthian-3-amine has a molecular weight of 189.32 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxo-6-propan-2-ylthian-3-amine is sourced from PubChem (CID 91460179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).