N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide

C11H22N2O3S — CID 115675126

IUPACN-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2,17(3,15)16)9-12-10(14)13-7-5-4-6-8-13/h4-9H2,1-3H3,(H,12,14)
InChIKeyZKOHXLPSZXBPNP-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.01
Rot. Bonds3

About N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide

N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide (PubChem CID 115675126) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
PubChem CID115675126
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2,17(3,15)16)9-12-10(14)13-7-5-4-6-8-13/h4-9H2,1-3H3,(H,12,14)
InChIKeyZKOHXLPSZXBPNP-UHFFFAOYSA-N
XLogP1.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid
CID 79557763
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide
CID 115365844
N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 110749479
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
N-(4-hydroxy-2,2-dimethylbutyl)piperidine-1-carboxamide
CID 103713759
2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
CID 79555425
N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815
3-ethyl-1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79559362
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide (CID 115675126) is N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide is CC(C)(CNC(=O)N1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide?
The InChIKey is ZKOHXLPSZXBPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,17(3,15)16)9-12-10(14)13-7-5-4-6-8-13/h4-9H2,1-3H3,(H,12,14).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide?
N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 115675126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).