6-methyl-6-propan-2-yl-1,4-thiazepane

C9H19NS — CID 144812802

IUPAC6-methyl-6-propan-2-yl-1,4-thiazepane
SMILESCC(C)C1(C)CNCCSC1
InChIInChI=1S/C9H19NS/c1-8(2)9(3)6-10-4-5-11-7-9/h8,10H,4-7H2,1-3H3
InChIKeyJATMWGKINXERMO-UHFFFAOYSA-N
MW173.32 g/mol
LogP1.99
Rot. Bonds1

About 6-methyl-6-propan-2-yl-1,4-thiazepane

6-methyl-6-propan-2-yl-1,4-thiazepane (PubChem CID 144812802) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 6-methyl-6-propan-2-yl-1,4-thiazepane.

Molecular Properties

Compound Name6-methyl-6-propan-2-yl-1,4-thiazepane
PubChem CID144812802
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name6-methyl-6-propan-2-yl-1,4-thiazepane
SMILESCC(C)C1(C)CNCCSC1
InChIInChI=1S/C9H19NS/c1-8(2)9(3)6-10-4-5-11-7-9/h8,10H,4-7H2,1-3H3
InChIKeyJATMWGKINXERMO-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-6-propan-2-yl-1,4-thiazepane 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-ethyl-6-methyl-1,4-thiazepane
CID 166825864
8-thia-3,11-diazaspiro[5.6]dodecane
CID 23135364
2,2-dimethylthiomorpholine;hydrochloride
CID 169438697
8-methyl-8-propan-2-yl-6,10-diazaspiro[4.6]undecane
CID 167294014
ethane;4-methyl-4-propan-2-ylazepane
CID 164876609
2-thia-7,10-diazaspiro[4.6]undecane
CID 122672037
1,4-dithiane;ethane;thiomorpholine
CID 145202008
(5R)-2-thia-7-azaspiro[4.4]nonane
CID 94411770
2-amino-1-(3-methylpyrrolidin-3-yl)ethanol
CID 115011610
thiomorpholine;trihydrochloride
CID 141375398
sulfane;thiomorpholine
CID 66634085
4-thia-7-azaspiro[2.5]octane
CID 22417199

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propan-2-yl-1,4-thiazepane?
The IUPAC name of 6-methyl-6-propan-2-yl-1,4-thiazepane (CID 144812802) is 6-methyl-6-propan-2-yl-1,4-thiazepane.
What is the SMILES notation for 6-methyl-6-propan-2-yl-1,4-thiazepane?
The canonical SMILES for 6-methyl-6-propan-2-yl-1,4-thiazepane is CC(C)C1(C)CNCCSC1.
What is the InChIKey of 6-methyl-6-propan-2-yl-1,4-thiazepane?
The InChIKey is JATMWGKINXERMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)9(3)6-10-4-5-11-7-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 6-methyl-6-propan-2-yl-1,4-thiazepane?
6-methyl-6-propan-2-yl-1,4-thiazepane has a molecular weight of 173.32 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propan-2-yl-1,4-thiazepane is sourced from PubChem (CID 144812802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).