1-[5-(3-methylbutylsulfonyl)pentyl]piperidine

C15H31NO2S — CID 18965255

IUPAC1-[5-(3-methylbutylsulfonyl)pentyl]piperidine
SMILESCC(C)CCS(=O)(=O)CCCCCN1CCCCC1
InChIInChI=1S/C15H31NO2S/c1-15(2)9-14-19(17,18)13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3
InChIKeyHHVUICKRODTRGK-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.10
Rot. Bonds9

About 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine

1-[5-(3-methylbutylsulfonyl)pentyl]piperidine (PubChem CID 18965255) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine.

Molecular Properties

Compound Name1-[5-(3-methylbutylsulfonyl)pentyl]piperidine
PubChem CID18965255
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name1-[5-(3-methylbutylsulfonyl)pentyl]piperidine
SMILESCC(C)CCS(=O)(=O)CCCCCN1CCCCC1
InChIInChI=1S/C15H31NO2S/c1-15(2)9-14-19(17,18)13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3
InChIKeyHHVUICKRODTRGK-UHFFFAOYSA-N
XLogP3.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
4-piperidin-1-ylbutane-1-sulfonamide
CID 123535345
5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 63832633
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
1-(2-ethylsulfonylethyl)azocane
CID 167779827
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
3-[4-(3-methylbutylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63832630
1-decylpiperidine;methanesulfonic acid
CID 175874627
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine?
The IUPAC name of 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine (CID 18965255) is 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine.
What is the SMILES notation for 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine?
The canonical SMILES for 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine is CC(C)CCS(=O)(=O)CCCCCN1CCCCC1.
What is the InChIKey of 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine?
The InChIKey is HHVUICKRODTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-15(2)9-14-19(17,18)13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3.
What are the key properties of 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine?
1-[5-(3-methylbutylsulfonyl)pentyl]piperidine has a molecular weight of 289.48 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylbutylsulfonyl)pentyl]piperidine is sourced from PubChem (CID 18965255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).