N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide

C12H25N3O3S — CID 47418589

IUPACN-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(C)C
InChIInChI=1S/C12H25N3O3S/c1-4-11(9(2)3)14-12(16)10-5-7-15(8-6-10)19(13,17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H2,13,17,18)
InChIKeyKERFCMXPBNKBPO-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.45
Rot. Bonds5

About N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide

N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 47418589) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide
PubChem CID47418589
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(C)C
InChIInChI=1S/C12H25N3O3S/c1-4-11(9(2)3)14-12(16)10-5-7-15(8-6-10)19(13,17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H2,13,17,18)
InChIKeyKERFCMXPBNKBPO-UHFFFAOYSA-N
XLogP0.45
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072801
N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 32598215
N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 119608309
N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide
CID 4136250
N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
CID 31977352
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355
4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783259
1-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 131955942
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357542
1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 46516639

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide (CID 47418589) is N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is KERFCMXPBNKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-11(9(2)3)14-12(16)10-5-7-15(8-6-10)19(13,17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H2,13,17,18).
What are the key properties of N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide?
N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 47418589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).