N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

C13H27N3O2S — CID 63003319

IUPACN-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCS(=O)(=O)N1CCN(CCNCC2CCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-10-8-15(9-11-16)7-6-14-12-13-4-2-3-5-13/h13-14H,2-12H2,1H3
InChIKeyJEYTWMPWBWZWFN-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.34
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 63003319) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
PubChem CID63003319
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCS(=O)(=O)N1CCN(CCNCC2CCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-10-8-15(9-11-16)7-6-14-12-13-4-2-3-5-13/h13-14H,2-12H2,1H3
InChIKeyJEYTWMPWBWZWFN-UHFFFAOYSA-N
XLogP0.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63002779
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 62069634
N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
CID 63004730
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216809
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-(cyclopentylmethyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 47253167

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (CID 63003319) is N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is CS(=O)(=O)N1CCN(CCNCC2CCCC2)CC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is JEYTWMPWBWZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-19(17,18)16-10-8-15(9-11-16)7-6-14-12-13-4-2-3-5-13/h13-14H,2-12H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63003319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).