N-(2-ethylsulfanylcyclohexyl)thian-4-amine

C13H25NS2 — CID 115727021

IUPACN-(2-ethylsulfanylcyclohexyl)thian-4-amine
SMILESCCSC1CCCCC1NC1CCSCC1
InChIInChI=1S/C13H25NS2/c1-2-16-13-6-4-3-5-12(13)14-11-7-9-15-10-8-11/h11-14H,2-10H2,1H3
InChIKeyWGCRROCZYCYUMJ-UHFFFAOYSA-N
MW259.48 g/mol
LogP3.54
Rot. Bonds4

About N-(2-ethylsulfanylcyclohexyl)thian-4-amine

N-(2-ethylsulfanylcyclohexyl)thian-4-amine (PubChem CID 115727021) has the molecular formula C13H25NS2 and a molecular weight of 259.48 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclohexyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclohexyl)thian-4-amine
PubChem CID115727021
Molecular FormulaC13H25NS2
Molecular Weight259.48 g/mol
Exact Mass259.14
IUPAC NameN-(2-ethylsulfanylcyclohexyl)thian-4-amine
SMILESCCSC1CCCCC1NC1CCSCC1
InChIInChI=1S/C13H25NS2/c1-2-16-13-6-4-3-5-12(13)14-11-7-9-15-10-8-11/h11-14H,2-10H2,1H3
InChIKeyWGCRROCZYCYUMJ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine
CID 114121433
N-(2-ethylsulfanylcyclopentyl)-3-methoxycyclohexan-1-amine
CID 114121380
N-(2-ethylcyclopropyl)thian-4-amine
CID 103670014
2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 115727024
N-(2,3-dimethylcyclohexyl)thian-4-amine
CID 43394865
3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
CID 99829767
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea
CID 103727711
1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
1-(2-ethylsulfanylcyclohexyl)-3-(3-hydroxybutyl)urea
CID 111841186
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclohexyl)thian-4-amine?
The IUPAC name of N-(2-ethylsulfanylcyclohexyl)thian-4-amine (CID 115727021) is N-(2-ethylsulfanylcyclohexyl)thian-4-amine.
What is the SMILES notation for N-(2-ethylsulfanylcyclohexyl)thian-4-amine?
The canonical SMILES for N-(2-ethylsulfanylcyclohexyl)thian-4-amine is CCSC1CCCCC1NC1CCSCC1.
What is the InChIKey of N-(2-ethylsulfanylcyclohexyl)thian-4-amine?
The InChIKey is WGCRROCZYCYUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS2/c1-2-16-13-6-4-3-5-12(13)14-11-7-9-15-10-8-11/h11-14H,2-10H2,1H3.
What are the key properties of N-(2-ethylsulfanylcyclohexyl)thian-4-amine?
N-(2-ethylsulfanylcyclohexyl)thian-4-amine has a molecular weight of 259.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclohexyl)thian-4-amine is sourced from PubChem (CID 115727021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).