4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide

C12H24N2O3S — CID 90585273

IUPAC4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-10(5-2)13-12(15)14-8-6-11(7-9-14)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyOFGSWXBRXJOGJA-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.39
Rot. Bonds4

About 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide

4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide (PubChem CID 90585273) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide
PubChem CID90585273
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-10(5-2)13-12(15)14-8-6-11(7-9-14)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyOFGSWXBRXJOGJA-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide
CID 108888440
4-methylsulfonylpiperidine-1-carbonyl chloride
CID 130652267
N-(1-aminobutan-2-yl)-4-hydroxypiperidine-1-carboxamide
CID 82509090
N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
CID 71868246
3-[(4-methylsulfanylpiperidine-1-carbonyl)amino]pentanoic acid
CID 114237897
4-methylsulfonylpiperidine-1-carboxamide
CID 130659169
1-butan-2-yl-4-methylsulfonylpiperidine
CID 121183044
N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 115626438
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methylsulfonylazepane-1-carboxamide
CID 167769059
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95949202
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide (CID 90585273) is 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide is CCC(CC)NC(=O)N1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide?
The InChIKey is OFGSWXBRXJOGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-10(5-2)13-12(15)14-8-6-11(7-9-14)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide?
4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 90585273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).