6-ethyl-6-methyl-1-oxothiepan-2-amine

C9H19NOS — CID 91153225

IUPAC6-ethyl-6-methyl-1-oxothiepan-2-amine
SMILESCCC1(C)CCCC(N)S(=O)C1
InChIInChI=1S/C9H19NOS/c1-3-9(2)6-4-5-8(10)12(11)7-9/h8H,3-7,10H2,1-2H3
InChIKeyFASZRYHKJHNVSG-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.62
Rot. Bonds1

About 6-ethyl-6-methyl-1-oxothiepan-2-amine

6-ethyl-6-methyl-1-oxothiepan-2-amine (PubChem CID 91153225) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-oxothiepan-2-amine.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-oxothiepan-2-amine
PubChem CID91153225
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name6-ethyl-6-methyl-1-oxothiepan-2-amine
SMILESCCC1(C)CCCC(N)S(=O)C1
InChIInChI=1S/C9H19NOS/c1-3-9(2)6-4-5-8(10)12(11)7-9/h8H,3-7,10H2,1-2H3
InChIKeyFASZRYHKJHNVSG-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-6-methyl-1-oxothiepan-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

6-Methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine
CID 91375430
6,6-Dimethyl-1,1-dioxothiepan-2-amine
CID 91466096
6-Butan-2-ylsulfinyl-2,2-dimethylhexan-1-amine
CID 106714789
6-Ethylsulfinyl-2,2-dimethylhexan-1-amine
CID 106714790
6-Tert-butylsulfinyl-2,2-dimethylhexan-1-amine
CID 106714791
2,2-Dimethyl-6-propylsulfinylhexan-1-amine
CID 106714792
6-Butylsulfinyl-2,2-dimethylhexan-1-amine
CID 106714802
2,2-Dimethyl-6-propan-2-ylsulfinylhexan-1-amine
CID 106714804
2,2-Dimethyl-6-pentylsulfinylhexan-1-amine
CID 107766880

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-1-oxothiepan-2-amine?
The IUPAC name of 6-ethyl-6-methyl-1-oxothiepan-2-amine (CID 91153225) is 6-ethyl-6-methyl-1-oxothiepan-2-amine.
What is the SMILES notation for 6-ethyl-6-methyl-1-oxothiepan-2-amine?
The canonical SMILES for 6-ethyl-6-methyl-1-oxothiepan-2-amine is CCC1(C)CCCC(N)S(=O)C1.
What is the InChIKey of 6-ethyl-6-methyl-1-oxothiepan-2-amine?
The InChIKey is FASZRYHKJHNVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-9(2)6-4-5-8(10)12(11)7-9/h8H,3-7,10H2,1-2H3.
What are the key properties of 6-ethyl-6-methyl-1-oxothiepan-2-amine?
6-ethyl-6-methyl-1-oxothiepan-2-amine has a molecular weight of 189.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-oxothiepan-2-amine is sourced from PubChem (CID 91153225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).