N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine

C17H26N2O2S — CID 75414784

IUPACN-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
SMILESO=S(=O)(c1ccccc1CNC1CCCC1)N1CCCCC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,19-12-6-1-7-13-19)17-11-5-2-8-15(17)14-18-16-9-3-4-10-16/h2,5,8,11,16,18H,1,3-4,6-7,9-10,12-14H2
InChIKeyZHFVCDXPNIUJRX-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.89
Rot. Bonds5

About N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine

N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine (PubChem CID 75414784) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
PubChem CID75414784
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
SMILESO=S(=O)(c1ccccc1CNC1CCCC1)N1CCCCC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,19-12-6-1-7-13-19)17-11-5-2-8-15(17)14-18-16-9-3-4-10-16/h2,5,8,11,16,18H,1,3-4,6-7,9-10,12-14H2
InChIKeyZHFVCDXPNIUJRX-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091179
6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133481721
1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine
CID 123690881
N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091138
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
2-amino-2-(oxan-4-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 120785303
1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 120710068
6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid
CID 122053220
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
1-benzyl-2-methyl-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110952470
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine (CID 75414784) is N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine is O=S(=O)(c1ccccc1CNC1CCCC1)N1CCCCC1.
What is the InChIKey of N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine?
The InChIKey is ZHFVCDXPNIUJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-22(21,19-12-6-1-7-13-19)17-11-5-2-8-15(17)14-18-16-9-3-4-10-16/h2,5,8,11,16,18H,1,3-4,6-7,9-10,12-14H2.
What are the key properties of N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine?
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine has a molecular weight of 322.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 75414784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).