4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine

C13H21NS2 — CID 62577729

IUPAC4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine
SMILESCC1CCC(NCCSc2cccs2)CC1
InChIInChI=1S/C13H21NS2/c1-11-4-6-12(7-5-11)14-8-10-16-13-3-2-9-15-13/h2-3,9,11-12,14H,4-8,10H2,1H3
InChIKeyKGVHTXQINIDSJN-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.01
Rot. Bonds5

About 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine

4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine (PubChem CID 62577729) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine
PubChem CID62577729
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC Name4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine
SMILESCC1CCC(NCCSc2cccs2)CC1
InChIInChI=1S/C13H21NS2/c1-11-4-6-12(7-5-11)14-8-10-16-13-3-2-9-15-13/h2-3,9,11-12,14H,4-8,10H2,1H3
InChIKeyKGVHTXQINIDSJN-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068085
N-[2-(4-methoxyphenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 62583747
N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
CID 62576495
2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
CID 62578159
4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
CID 107782542
4-methyl-N-(2-pyrimidin-4-ylsulfanylethyl)cyclohexan-1-amine
CID 55225941
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692
2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid
CID 63034813
2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64821955
4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine
CID 62578158
2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine
CID 64906327

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine (CID 62577729) is 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine is CC1CCC(NCCSc2cccs2)CC1.
What is the InChIKey of 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine?
The InChIKey is KGVHTXQINIDSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-11-4-6-12(7-5-11)14-8-10-16-13-3-2-9-15-13/h2-3,9,11-12,14H,4-8,10H2,1H3.
What are the key properties of 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine?
4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine is sourced from PubChem (CID 62577729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).