1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide

C10H20N2O3S — CID 3237649

IUPAC1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-8(2)11-10(13)9-5-4-6-12(7-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeySDMPUCFGFNUMDJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.18
Rot. Bonds3

About 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide

1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 3237649) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID3237649
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-8(2)11-10(13)9-5-4-6-12(7-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeySDMPUCFGFNUMDJ-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide (CID 3237649) is 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is SDMPUCFGFNUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)11-10(13)9-5-4-6-12(7-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3237649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).