thiepan-2-amine

C6H13NS — CID 175886388

IUPACthiepan-2-amine
SMILESNC1CCCCCS1
InChIInChI=1S/C6H13NS/c7-6-4-2-1-3-5-8-6/h6H,1-5,7H2
InChIKeyUXOIAUCPXVZXNA-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.58
Rot. Bonds

About thiepan-2-amine

thiepan-2-amine (PubChem CID 175886388) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is thiepan-2-amine.

Molecular Properties

Compound Namethiepan-2-amine
PubChem CID175886388
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Namethiepan-2-amine
SMILESNC1CCCCCS1
InChIInChI=1S/C6H13NS/c7-6-4-2-1-3-5-8-6/h6H,1-5,7H2
InChIKeyUXOIAUCPXVZXNA-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

silane;2-(thiepan-2-ylmethyl)thiepane
CID 173274249
2-methyl-1-(thian-2-yl)propan-2-amine
CID 84654748
2-(cyclooctylmethyl)thiolane
CID 163438638
(2S)-2-(cyclohexylmethyl)thiolane
CID 132938767
1-(thian-2-ylmethyl)cyclohexan-1-ol
CID 115073797
8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 80613025
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
2-(thian-2-yl)acetaldehyde
CID 83815216
N-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
2-(thiolan-2-yl)ethanamine;hydrochloride
CID 53423396
2-dodecylthiane
CID 14420052
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949

Frequently Asked Questions

What is the IUPAC name of thiepan-2-amine?
The IUPAC name of thiepan-2-amine (CID 175886388) is thiepan-2-amine.
What is the SMILES notation for thiepan-2-amine?
The canonical SMILES for thiepan-2-amine is NC1CCCCCS1.
What is the InChIKey of thiepan-2-amine?
The InChIKey is UXOIAUCPXVZXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c7-6-4-2-1-3-5-8-6/h6H,1-5,7H2.
What are the key properties of thiepan-2-amine?
thiepan-2-amine has a molecular weight of 131.24 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiepan-2-amine is sourced from PubChem (CID 175886388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).