1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine

C15H31NOS — CID 54126515

IUPAC1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine
SMILESCCCCCS(=O)CC(C(C)C)N1CCCCC1
InChIInChI=1S/C15H31NOS/c1-4-5-9-12-18(17)13-15(14(2)3)16-10-7-6-8-11-16/h14-15H,4-13H2,1-3H3
InChIKeyNRIFPXDFCKEUSI-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.44
Rot. Bonds8

About 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine

1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine (PubChem CID 54126515) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine.

Molecular Properties

Compound Name1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine
PubChem CID54126515
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine
SMILESCCCCCS(=O)CC(C(C)C)N1CCCCC1
InChIInChI=1S/C15H31NOS/c1-4-5-9-12-18(17)13-15(14(2)3)16-10-7-6-8-11-16/h14-15H,4-13H2,1-3H3
InChIKeyNRIFPXDFCKEUSI-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methyl-1-methylsulfonylbutan-2-yl)piperidine
CID 134992857
4-(2-Fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
CID 130606431
4-(3-Fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
CID 130727461
2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
CID 71861030
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71869605
4-Methyl-4-(3-methylbutyl)-1,4-thiazinan-4-ium 1-oxide iodide
CID 126476109
1-[1-(3-Methylbutylsulfonyl)pentan-2-yl]piperidine
CID 9860773
2-(1-Piperidyl)ethyl ethyl sulfoxide
CID 15232581
5-(1-Piperidyl)pentyl isopentyl sulfoxide
CID 18965251
5-(1-Piperidyl)pentyl isopentyl sulfone
CID 18965255
1-[5-(3-Methylbutylsulfanyl)pentyl]piperidine
CID 18965262

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine?
The IUPAC name of 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine (CID 54126515) is 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine.
What is the SMILES notation for 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine?
The canonical SMILES for 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine is CCCCCS(=O)CC(C(C)C)N1CCCCC1.
What is the InChIKey of 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine?
The InChIKey is NRIFPXDFCKEUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-4-5-9-12-18(17)13-15(14(2)3)16-10-7-6-8-11-16/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine?
1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine has a molecular weight of 273.49 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-pentylsulfinylbutan-2-yl)piperidine is sourced from PubChem (CID 54126515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).