N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine

C13H27N3O2S — CID 63004730

IUPACN-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCS(=O)(=O)N1CCN(CCCNC2CCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-11-9-15(10-12-16)8-4-7-14-13-5-2-3-6-13/h13-14H,2-12H2,1H3
InChIKeyYTQVVECFHXYCPQ-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.49
Rot. Bonds6

About N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine

N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine (PubChem CID 63004730) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
PubChem CID63004730
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCS(=O)(=O)N1CCN(CCCNC2CCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-11-9-15(10-12-16)8-4-7-14-13-5-2-3-6-13/h13-14H,2-12H2,1H3
InChIKeyYTQVVECFHXYCPQ-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
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

1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63003319
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine
CID 63619496
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63002779
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine (CID 63004730) is N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine is CS(=O)(=O)N1CCN(CCCNC2CCCC2)CC1.
What is the InChIKey of N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine?
The InChIKey is YTQVVECFHXYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-19(17,18)16-11-9-15(10-12-16)8-4-7-14-13-5-2-3-6-13/h13-14H,2-12H2,1H3.
What are the key properties of N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine?
N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine has a molecular weight of 289.44 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 63004730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).