thiepan-3-amine

C6H13NS — CID 14594138

IUPACthiepan-3-amine
SMILESNC1CCCCSC1
InChIInChI=1S/C6H13NS/c7-6-3-1-2-4-8-5-6/h6H,1-5,7H2
InChIKeyDWZXCFNMQRAHHR-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.23
Rot. Bonds

About thiepan-3-amine

thiepan-3-amine (PubChem CID 14594138) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is thiepan-3-amine.

Molecular Properties

Compound Namethiepan-3-amine
PubChem CID14594138
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Namethiepan-3-amine
SMILESNC1CCCCSC1
InChIInChI=1S/C6H13NS/c7-6-3-1-2-4-8-5-6/h6H,1-5,7H2
InChIKeyDWZXCFNMQRAHHR-UHFFFAOYSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiepan-3-amine?
The IUPAC name of thiepan-3-amine (CID 14594138) is thiepan-3-amine.
What is the SMILES notation for thiepan-3-amine?
The canonical SMILES for thiepan-3-amine is NC1CCCCSC1.
What is the InChIKey of thiepan-3-amine?
The InChIKey is DWZXCFNMQRAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c7-6-3-1-2-4-8-5-6/h6H,1-5,7H2.
What are the key properties of thiepan-3-amine?
thiepan-3-amine has a molecular weight of 131.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiepan-3-amine is sourced from PubChem (CID 14594138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).