N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide

C17H26N2OS — CID 119309241

IUPACN-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
SMILESCCC(C)Sc1ccc(NC(=O)C2CCNCC2)c(C)c1
InChIInChI=1S/C17H26N2OS/c1-4-13(3)21-15-5-6-16(12(2)11-15)19-17(20)14-7-9-18-10-8-14/h5-6,11,13-14,18H,4,7-10H2,1-3H3,(H,19,20)
InChIKeyAUFORGOGTNBYCK-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.82
Rot. Bonds5

About N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide

N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide (PubChem CID 119309241) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
PubChem CID119309241
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
SMILESCCC(C)Sc1ccc(NC(=O)C2CCNCC2)c(C)c1
InChIInChI=1S/C17H26N2OS/c1-4-13(3)21-15-5-6-16(12(2)11-15)19-17(20)14-7-9-18-10-8-14/h5-6,11,13-14,18H,4,7-10H2,1-3H3,(H,19,20)
InChIKeyAUFORGOGTNBYCK-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119309248
2-[(4-butan-2-ylsulfanyl-2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975677
N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide
CID 119758954
N-(4-butan-2-ylsulfanyl-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119758934
1-[4-[(2R)-butan-2-yl]sulfanyl-2-methylphenyl]-3-[(3S)-oxolan-3-yl]urea
CID 97095767
(2R)-N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-propan-2-ylsulfonylpropanamide
CID 52510301
3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
CID 119758951
N-(4-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 43706641
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119313836
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619
N-[4-[(2R)-butan-2-yl]sulfanyl-2-methylphenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94816368
N-[4-(2-methoxyethoxy)-2-methylphenyl]piperidine-4-carboxamide;hydrochloride
CID 119289436

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide (CID 119309241) is N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide is CCC(C)Sc1ccc(NC(=O)C2CCNCC2)c(C)c1.
What is the InChIKey of N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is AUFORGOGTNBYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-13(3)21-15-5-6-16(12(2)11-15)19-17(20)14-7-9-18-10-8-14/h5-6,11,13-14,18H,4,7-10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide?
N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 306.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119309241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).