4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline

C18H28N2S — CID 63445652

IUPAC4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C18H28N2S/c1-20-13-5-4-6-16(20)14-19-15-9-11-18(12-10-15)21-17-7-2-3-8-17/h9-12,16-17,19H,2-8,13-14H2,1H3
InChIKeyUXKZUKBKYVHLMJ-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.62
Rot. Bonds5

About 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline

4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 63445652) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID63445652
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C18H28N2S/c1-20-13-5-4-6-16(20)14-19-15-9-11-18(12-10-15)21-17-7-2-3-8-17/h9-12,16-17,19H,2-8,13-14H2,1H3
InChIKeyUXKZUKBKYVHLMJ-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658840
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62656703
N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
CID 43726315
4-cyclopentylsulfanyl-N-prop-2-ynylaniline
CID 63953079
N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
CID 63421140
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62655654
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107678243
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 63445652) is 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline is CN1CCCCC1CNc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is UXKZUKBKYVHLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-20-13-5-4-6-16(20)14-19-15-9-11-18(12-10-15)21-17-7-2-3-8-17/h9-12,16-17,19H,2-8,13-14H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline?
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 304.50 g/mol, XLogP of 4.62, 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-2-yl)methyl]aniline is sourced from PubChem (CID 63445652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).