N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide

C12H26N4O3S — CID 119608309

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H26N4O3S/c1-9(2)12(3,8-13)15-11(17)10-4-6-16(7-5-10)20(14,18)19/h9-10H,4-8,13H2,1-3H3,(H,15,17)(H2,14,18,19)
InChIKeyJHTLYSADCHNGAD-UHFFFAOYSA-N
MW306.43 g/mol
LogP-0.61
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 119608309) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
PubChem CID119608309
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H26N4O3S/c1-9(2)12(3,8-13)15-11(17)10-4-6-16(7-5-10)20(14,18)19/h9-10H,4-8,13H2,1-3H3,(H,15,17)(H2,14,18,19)
InChIKeyJHTLYSADCHNGAD-UHFFFAOYSA-N
XLogP-0.61
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119606604
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
CID 119607916
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119608044
N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 47418589
1-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119605429
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119607229
N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622515
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119608405
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 81487399
N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-1-sulfonamide
CID 115310584

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide (CID 119608309) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide is CC(C)C(C)(CN)NC(=O)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is JHTLYSADCHNGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-9(2)12(3,8-13)15-11(17)10-4-6-16(7-5-10)20(14,18)19/h9-10H,4-8,13H2,1-3H3,(H,15,17)(H2,14,18,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 119608309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).