2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine

C10H20N2OS — CID 130679158

IUPAC2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine
SMILESNC1CCCC1N1CCCS(=O)CC1
InChIInChI=1S/C10H20N2OS/c11-9-3-1-4-10(9)12-5-2-7-14(13)8-6-12/h9-10H,1-8,11H2
InChIKeyDXOYLXDUJLGCGP-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.32
Rot. Bonds1

About 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine

2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine (PubChem CID 130679158) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine
PubChem CID130679158
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine
SMILESNC1CCCC1N1CCCS(=O)CC1
InChIInChI=1S/C10H20N2OS/c11-9-3-1-4-10(9)12-5-2-7-14(13)8-6-12/h9-10H,1-8,11H2
InChIKeyDXOYLXDUJLGCGP-UHFFFAOYSA-N
XLogP0.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine?
The IUPAC name of 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine (CID 130679158) is 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine is NC1CCCC1N1CCCS(=O)CC1.
What is the InChIKey of 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine?
The InChIKey is DXOYLXDUJLGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c11-9-3-1-4-10(9)12-5-2-7-14(13)8-6-12/h9-10H,1-8,11H2.
What are the key properties of 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine?
2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine has a molecular weight of 216.35 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1,4-thiazepan-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 130679158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).