1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide

C17H26N2O2S — CID 143288729

IUPAC1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(=O)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2S/c1-14(2)10-11-18-17(20)15-7-6-12-19(13-15)22(21)16-8-4-3-5-9-16/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,18,20)
InChIKeyMHAGYCQTIQMEIX-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.58
Rot. Bonds6

About 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide

1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 143288729) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID143288729
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(=O)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2S/c1-14(2)10-11-18-17(20)15-7-6-12-19(13-15)22(21)16-8-4-3-5-9-16/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,18,20)
InChIKeyMHAGYCQTIQMEIX-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 51216658
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95115735
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide
CID 143288706
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide (CID 143288729) is 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(S(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is MHAGYCQTIQMEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14(2)10-11-18-17(20)15-7-6-12-19(13-15)22(21)16-8-4-3-5-9-16/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,18,20).
What are the key properties of 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 143288729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).