N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide

C9H19N3O3S — CID 137403001

IUPACN-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(S(N)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-7(2)11-9(13)12-5-3-8(4-6-12)16(10,14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H2,10,14,15)
InChIKeyFYBOBYQUSNRQJB-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.14
Rot. Bonds2

About N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide

N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide (PubChem CID 137403001) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide
PubChem CID137403001
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(S(N)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-7(2)11-9(13)12-5-3-8(4-6-12)16(10,14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H2,10,14,15)
InChIKeyFYBOBYQUSNRQJB-UHFFFAOYSA-N
XLogP-0.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide (CID 137403001) is N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(S(N)(=O)=O)CC1.
What is the InChIKey of N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide?
The InChIKey is FYBOBYQUSNRQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-7(2)11-9(13)12-5-3-8(4-6-12)16(10,14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H2,10,14,15).
What are the key properties of N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide?
N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-sulfamoylpiperidine-1-carboxamide is sourced from PubChem (CID 137403001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).