4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide

C13H25N3O3S — CID 20630944

IUPAC4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-13(2,3)20(18,19)15-11-6-8-16(9-7-11)12(17)14-10-4-5-10/h10-11,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyLUWCUPRAOLFBKT-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.04
Rot. Bonds3

About 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide (PubChem CID 20630944) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide
PubChem CID20630944
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-13(2,3)20(18,19)15-11-6-8-16(9-7-11)12(17)14-10-4-5-10/h10-11,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyLUWCUPRAOLFBKT-UHFFFAOYSA-N
XLogP1.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-3-sulfamoylpiperidine-1-carboxamide
CID 116658849
2-[2-(methanesulfonamido)ethyl]-N-methylpiperidine-1-carboxamide
CID 47062425
N-ethyl-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide
CID 47062426
1-((1-(Cyclopropylsulfonyl)piperidin-4-yl)methyl)-3-ethylurea
CID 49692353
1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47399491
1-[(1S)-1-cyclopropylethyl]-3-[3-(ethylsulfonylamino)propyl]-1-methylurea
CID 95635035
N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119051544
N-cyclobutyl-4-(methylsulfamoyl)piperidine-1-carboxamide
CID 127307374
N-[2-(cyclopropylsulfamoyl)ethyl]-4-methylpiperidine-1-carboxamide
CID 128935956
N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide
CID 136536038
3-(1-Cyclopropyl-2,2,2-trifluoroethyl)-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 132378709
N-(tert-butyl)-4-(cyclopropanesulfonamidomethyl)piperidine-1-carboxamide
CID 49684542

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide (CID 20630944) is 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide?
The InChIKey is LUWCUPRAOLFBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-13(2,3)20(18,19)15-11-6-8-16(9-7-11)12(17)14-10-4-5-10/h10-11,15H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide is sourced from PubChem (CID 20630944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).