3-ethylsulfanylazepane

C8H17NS — CID 54592762

IUPAC3-ethylsulfanylazepane
SMILESCCSC1CCCCNC1
InChIInChI=1S/C8H17NS/c1-2-10-8-5-3-4-6-9-7-8/h8-9H,2-7H2,1H3
InChIKeyRJVUDYKKQNLPNU-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds2

About 3-ethylsulfanylazepane

3-ethylsulfanylazepane (PubChem CID 54592762) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-ethylsulfanylazepane.

Molecular Properties

Compound Name3-ethylsulfanylazepane
PubChem CID54592762
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-ethylsulfanylazepane
SMILESCCSC1CCCCNC1
InChIInChI=1S/C8H17NS/c1-2-10-8-5-3-4-6-9-7-8/h8-9H,2-7H2,1H3
InChIKeyRJVUDYKKQNLPNU-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methylsulfanyl)azepane
CID 71756725
7-Methyl-1,4-thiazepane
CID 66226713
4-[(Methylsulfanyl)methyl]azepane hydrochloride
CID 170910599
N-(3-pentylsulfanylpropyl)hexan-1-amine
CID 90934079
Aza-4,8-dithiacyclotridecane
CID 129677796
N-(2-fluoroethyl)-6-methylsulfanylhexan-1-amine
CID 105895027
N-(3-fluoropropyl)-6-methylsulfanylhexan-1-amine
CID 105895156
2-Methyl-1,4-thiazepane
CID 12869170
2-Butylthiomorpholine
CID 13234093
4-(Methylsulfanyl)azepane
CID 20139919
N-(3-methylsulfanylpropyl)pentan-1-amine
CID 20343102
N-ethyl-4-ethylsulfanylbutan-1-amine
CID 54210426

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylazepane?
The IUPAC name of 3-ethylsulfanylazepane (CID 54592762) is 3-ethylsulfanylazepane.
What is the SMILES notation for 3-ethylsulfanylazepane?
The canonical SMILES for 3-ethylsulfanylazepane is CCSC1CCCCNC1.
What is the InChIKey of 3-ethylsulfanylazepane?
The InChIKey is RJVUDYKKQNLPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-10-8-5-3-4-6-9-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-ethylsulfanylazepane?
3-ethylsulfanylazepane has a molecular weight of 159.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylazepane is sourced from PubChem (CID 54592762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).