4-(2-aminocyclohexyl)sulfanylaniline

C12H18N2S — CID 106440974

IUPAC4-(2-aminocyclohexyl)sulfanylaniline
SMILESNc1ccc(SC2CCCCC2N)cc1
InChIInChI=1S/C12H18N2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12H,1-4,13-14H2
InChIKeyQOSRZZZNVWEOOM-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.63
Rot. Bonds2

About 4-(2-aminocyclohexyl)sulfanylaniline

4-(2-aminocyclohexyl)sulfanylaniline (PubChem CID 106440974) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 4-(2-aminocyclohexyl)sulfanylaniline.

Molecular Properties

Compound Name4-(2-aminocyclohexyl)sulfanylaniline
PubChem CID106440974
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name4-(2-aminocyclohexyl)sulfanylaniline
SMILESNc1ccc(SC2CCCCC2N)cc1
InChIInChI=1S/C12H18N2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12H,1-4,13-14H2
InChIKeyQOSRZZZNVWEOOM-UHFFFAOYSA-N
XLogP2.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)sulfanylcyclohexan-1-amine
CID 64615583
2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine
CID 64619325
trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
CID 101053357
N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
CID 64648961
3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline
CID 80661520
2-(2-aminocyclohexyl)sulfanyl-6-methylaniline
CID 106440999
2-(2-aminocyclohexyl)sulfanyl-5-bromoaniline
CID 106440977
2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine
CID 64627958
4-(3-methylcyclohexyl)sulfanylaniline
CID 62722234
2-(2-bromophenyl)sulfanylcyclohexan-1-amine
CID 64614964
2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
CID 64627959
4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol
CID 67808462

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclohexyl)sulfanylaniline?
The IUPAC name of 4-(2-aminocyclohexyl)sulfanylaniline (CID 106440974) is 4-(2-aminocyclohexyl)sulfanylaniline.
What is the SMILES notation for 4-(2-aminocyclohexyl)sulfanylaniline?
The canonical SMILES for 4-(2-aminocyclohexyl)sulfanylaniline is Nc1ccc(SC2CCCCC2N)cc1.
What is the InChIKey of 4-(2-aminocyclohexyl)sulfanylaniline?
The InChIKey is QOSRZZZNVWEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12H,1-4,13-14H2.
What are the key properties of 4-(2-aminocyclohexyl)sulfanylaniline?
4-(2-aminocyclohexyl)sulfanylaniline has a molecular weight of 222.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclohexyl)sulfanylaniline is sourced from PubChem (CID 106440974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).