N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline

C18H27NS — CID 43726315

IUPACN-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
SMILESc1cc(SC2CCCC2)ccc1NCC1CCCCC1
InChIInChI=1S/C18H27NS/c1-2-6-15(7-3-1)14-19-16-10-12-18(13-11-16)20-17-8-4-5-9-17/h10-13,15,17,19H,1-9,14H2
InChIKeyZQTOCGOAWLBXHQ-UHFFFAOYSA-N
MW289.49 g/mol
LogP5.71
Rot. Bonds5

About N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline

N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline (PubChem CID 43726315) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
PubChem CID43726315
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
SMILESc1cc(SC2CCCC2)ccc1NCC1CCCCC1
InChIInChI=1S/C18H27NS/c1-2-6-15(7-3-1)14-19-16-10-12-18(13-11-16)20-17-8-4-5-9-17/h10-13,15,17,19H,1-9,14H2
InChIKeyZQTOCGOAWLBXHQ-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658840
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
CID 106633430
4-cyclopentylsulfanyl-N-prop-2-ynylaniline
CID 63953079
4-(cyclooctylmethylamino)phenol
CID 53404225
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline
CID 43726306
1-tert-butyl-4-cyclohexylsulfanylbenzene
CID 22367519
2-[(4-cyclopentylsulfanylanilino)methyl]-2-methylbutan-1-ol
CID 81412765

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline?
The IUPAC name of N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline (CID 43726315) is N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline is c1cc(SC2CCCC2)ccc1NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline?
The InChIKey is ZQTOCGOAWLBXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-2-6-15(7-3-1)14-19-16-10-12-18(13-11-16)20-17-8-4-5-9-17/h10-13,15,17,19H,1-9,14H2.
What are the key properties of N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline?
N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline has a molecular weight of 289.49 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline is sourced from PubChem (CID 43726315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).