[4-(ethylsulfanylmethyl)cyclohexyl]methanamine

C10H21NS — CID 54471482

IUPAC[4-(ethylsulfanylmethyl)cyclohexyl]methanamine
SMILESCCSCC1CCC(CN)CC1
InChIInChI=1S/C10H21NS/c1-2-12-8-10-5-3-9(7-11)4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyXIRHXELSTYBZKA-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.50
Rot. Bonds4

About [4-(ethylsulfanylmethyl)cyclohexyl]methanamine

[4-(ethylsulfanylmethyl)cyclohexyl]methanamine (PubChem CID 54471482) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is [4-(ethylsulfanylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(ethylsulfanylmethyl)cyclohexyl]methanamine
PubChem CID54471482
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name[4-(ethylsulfanylmethyl)cyclohexyl]methanamine
SMILESCCSCC1CCC(CN)CC1
InChIInChI=1S/C10H21NS/c1-2-12-8-10-5-3-9(7-11)4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyXIRHXELSTYBZKA-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylsulfanylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4-(ethylsulfanylmethyl)cyclohexyl]methanamine (CID 54471482) is [4-(ethylsulfanylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(ethylsulfanylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-(ethylsulfanylmethyl)cyclohexyl]methanamine is CCSCC1CCC(CN)CC1.
What is the InChIKey of [4-(ethylsulfanylmethyl)cyclohexyl]methanamine?
The InChIKey is XIRHXELSTYBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-12-8-10-5-3-9(7-11)4-6-10/h9-10H,2-8,11H2,1H3.
What are the key properties of [4-(ethylsulfanylmethyl)cyclohexyl]methanamine?
[4-(ethylsulfanylmethyl)cyclohexyl]methanamine has a molecular weight of 187.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylsulfanylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 54471482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).