4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide

C13H20N4O3S — CID 43790791

IUPAC4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H20N4O3S/c1-9-2-3-11(21(15,19)20)8-12(9)16-10-4-6-17(7-5-10)13(14)18/h2-3,8,10,16H,4-7H2,1H3,(H2,14,18)(H2,15,19,20)
InChIKeyMKCFMKANEMBOPA-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.60
Rot. Bonds3

About 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide

4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide (PubChem CID 43790791) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
PubChem CID43790791
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H20N4O3S/c1-9-2-3-11(21(15,19)20)8-12(9)16-10-4-6-17(7-5-10)13(14)18/h2-3,8,10,16H,4-7H2,1H3,(H2,14,18)(H2,15,19,20)
InChIKeyMKCFMKANEMBOPA-UHFFFAOYSA-N
XLogP0.60
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
4-methyl-3-[(1-oxothian-4-yl)amino]benzenesulfonamide
CID 54981628
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
CID 64753179
methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
CID 47072778
3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
CID 55158540
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
4-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 55129972
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methylbenzenesulfonamide
CID 43744289
(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
CID 125176909
4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
CID 43785542
4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide
CID 115912396

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide (CID 43790791) is 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide is Cc1ccc(S(N)(=O)=O)cc1NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide?
The InChIKey is MKCFMKANEMBOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9-2-3-11(21(15,19)20)8-12(9)16-10-4-6-17(7-5-10)13(14)18/h2-3,8,10,16H,4-7H2,1H3,(H2,14,18)(H2,15,19,20).
What are the key properties of 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide?
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43790791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).