N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine

C13H26N2O2S — CID 91216623

IUPACN-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
SMILESO=S(=O)(CCCNC1CCCC1)N1CCCCC1
InChIInChI=1S/C13H26N2O2S/c16-18(17,15-10-4-1-5-11-15)12-6-9-14-13-7-2-3-8-13/h13-14H,1-12H2
InChIKeyGADOUGNQGXDYJA-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.72
Rot. Bonds6

About N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine

N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine (PubChem CID 91216623) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
PubChem CID91216623
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
SMILESO=S(=O)(CCCNC1CCCC1)N1CCCCC1
InChIInChI=1S/C13H26N2O2S/c16-18(17,15-10-4-1-5-11-15)12-6-9-14-13-7-2-3-8-13/h13-14H,1-12H2
InChIKeyGADOUGNQGXDYJA-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
CID 91246743
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
N-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
CID 79936656
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
CID 63004730
N-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)butyl]cyclopropanamine
CID 82751542
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine?
The IUPAC name of N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine (CID 91216623) is N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine is O=S(=O)(CCCNC1CCCC1)N1CCCCC1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine?
The InChIKey is GADOUGNQGXDYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c16-18(17,15-10-4-1-5-11-15)12-6-9-14-13-7-2-3-8-13/h13-14H,1-12H2.
What are the key properties of N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine?
N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine has a molecular weight of 274.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine is sourced from PubChem (CID 91216623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).