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

C17H26N2S — CID 106633430

IUPAC4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
SMILESc1cc(SC2CCCC2)ccc1NCC1CCCCN1
InChIInChI=1S/C17H26N2S/c1-2-7-16(6-1)20-17-10-8-14(9-11-17)19-13-15-5-3-4-12-18-15/h8-11,15-16,18-19H,1-7,12-13H2
InChIKeyUMIYRGURVMKZMF-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.28
Rot. Bonds5

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

4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106633430) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
PubChem CID106633430
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
SMILESc1cc(SC2CCCC2)ccc1NCC1CCCCN1
InChIInChI=1S/C17H26N2S/c1-2-7-16(6-1)20-17-10-8-14(9-11-17)19-13-15-5-3-4-12-18-15/h8-11,15-16,18-19H,1-7,12-13H2
InChIKeyUMIYRGURVMKZMF-UHFFFAOYSA-N
XLogP4.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
CID 43726315
4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
4-cyclopentylsulfanyl-N-prop-2-ynylaniline
CID 63953079
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658840
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
CID 115211012
4-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633476
4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline (CID 106633430) is 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline is c1cc(SC2CCCC2)ccc1NCC1CCCCN1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is UMIYRGURVMKZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-7-16(6-1)20-17-10-8-14(9-11-17)19-13-15-5-3-4-12-18-15/h8-11,15-16,18-19H,1-7,12-13H2.
What are the key properties of 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline?
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 290.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106633430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).