4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

C18H28N2S — CID 62658840

IUPAC4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CNc2ccc(SC3CCCC3)cc2)CC1
InChIInChI=1S/C18H28N2S/c1-20-12-10-15(11-13-20)14-19-16-6-8-18(9-7-16)21-17-4-2-3-5-17/h6-9,15,17,19H,2-5,10-14H2,1H3
InChIKeyGLGYGUUHGHGSRJ-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.47
Rot. Bonds5

About 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 62658840) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID62658840
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CNc2ccc(SC3CCCC3)cc2)CC1
InChIInChI=1S/C18H28N2S/c1-20-12-10-15(11-13-20)14-19-16-6-8-18(9-7-16)21-17-4-2-3-5-17/h6-9,15,17,19H,2-5,10-14H2,1H3
InChIKeyGLGYGUUHGHGSRJ-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
CID 43726315
N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
CID 62655952
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
4-cyclopentylsulfanyl-N-prop-2-ynylaniline
CID 63953079
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
CID 106633430
4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655648
N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline
CID 62659052
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62654527
4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115743215
N-butan-2-yl-4-cyclopentylsulfanylaniline
CID 43726330
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 62658840) is 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is CN1CCC(CNc2ccc(SC3CCCC3)cc2)CC1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is GLGYGUUHGHGSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-20-12-10-15(11-13-20)14-19-16-6-8-18(9-7-16)21-17-4-2-3-5-17/h6-9,15,17,19H,2-5,10-14H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 304.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 62658840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).