4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C10H19N3O2S — CID 62075219

IUPAC4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C10H19N3O2S/c1-9(2)12(3)16(14,15)13-6-4-10(8-11)5-7-13/h9-10H,4-7H2,1-3H3
InChIKeyGJMCEWHDNNQUFC-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.81
Rot. Bonds3

About 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide

4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 62075219) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID62075219
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C10H19N3O2S/c1-9(2)12(3)16(14,15)13-6-4-10(8-11)5-7-13/h9-10H,4-7H2,1-3H3
InChIKeyGJMCEWHDNNQUFC-UHFFFAOYSA-N
XLogP0.81
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 62075219) is 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCC(C#N)CC1.
What is the InChIKey of 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is GJMCEWHDNNQUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2)12(3)16(14,15)13-6-4-10(8-11)5-7-13/h9-10H,4-7H2,1-3H3.
What are the key properties of 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 62075219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).