4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline

C16H19NS2 — CID 43726306

IUPAC4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline
SMILESc1csc(CNc2ccc(SC3CCCC3)cc2)c1
InChIInChI=1S/C16H19NS2/c1-2-5-14(4-1)19-15-9-7-13(8-10-15)17-12-16-6-3-11-18-16/h3,6-11,14,17H,1-2,4-5,12H2
InChIKeyBGXMSVDNIHBVCY-UHFFFAOYSA-N
MW289.47 g/mol
LogP5.39
Rot. Bonds5

About 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline

4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 43726306) has the molecular formula C16H19NS2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID43726306
Molecular FormulaC16H19NS2
Molecular Weight289.47 g/mol
Exact Mass289.10
IUPAC Name4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline
SMILESc1csc(CNc2ccc(SC3CCCC3)cc2)c1
InChIInChI=1S/C16H19NS2/c1-2-5-14(4-1)19-15-9-7-13(8-10-15)17-12-16-6-3-11-18-16/h3,6-11,14,17H,1-2,4-5,12H2
InChIKeyBGXMSVDNIHBVCY-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43726275
4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54801991
2-(cyclopentylsulfanylmethyl)thiophene
CID 130677399
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524
4-cyclopentylsulfanyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62747817
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115743215
2-methyl-3,4-dihydro-2H-pyrrole;N-(thiophen-2-ylmethyl)aniline;hydrochloride
CID 70531773
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
CID 106633430
4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline
CID 4574103
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline (CID 43726306) is 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline is c1csc(CNc2ccc(SC3CCCC3)cc2)c1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is BGXMSVDNIHBVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS2/c1-2-5-14(4-1)19-15-9-7-13(8-10-15)17-12-16-6-3-11-18-16/h3,6-11,14,17H,1-2,4-5,12H2.
What are the key properties of 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline?
4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 289.47 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43726306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).