N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride

C14H25ClN4O3S — CID 120720680

IUPACN,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(S(=O)(=O)NCC2(C)CCCNC2)cn1C.Cl
InChIInChI=1S/C14H24N4O3S.ClH/c1-14(5-4-6-16-9-14)10-17-22(20,21)11-7-12(13(19)15-2)18(3)8-11;/h7-8,16-17H,4-6,9-10H2,1-3H3,(H,15,19);1H
InChIKeyNUDWLJZHYCRVAL-UHFFFAOYSA-N
MW364.90 g/mol
LogP0.47
Rot. Bonds5

About N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride

N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride (PubChem CID 120720680) has the molecular formula C14H25ClN4O3S and a molecular weight of 364.90 g/mol. Its IUPAC name is N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
PubChem CID120720680
Molecular FormulaC14H25ClN4O3S
Molecular Weight364.90 g/mol
Exact Mass364.13
IUPAC NameN,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(S(=O)(=O)NCC2(C)CCCNC2)cn1C.Cl
InChIInChI=1S/C14H24N4O3S.ClH/c1-14(5-4-6-16-9-14)10-17-22(20,21)11-7-12(13(19)15-2)18(3)8-11;/h7-8,16-17H,4-6,9-10H2,1-3H3,(H,15,19);1H
InChIKeyNUDWLJZHYCRVAL-UHFFFAOYSA-N
XLogP0.47
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-4-[(4-methylpiperidin-4-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720016
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 65461558
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 120720870
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165438
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride
CID 120876257
4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720830

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride (CID 120720680) is N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride is CNC(=O)c1cc(S(=O)(=O)NCC2(C)CCCNC2)cn1C.Cl.
What is the InChIKey of N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The InChIKey is NUDWLJZHYCRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S.ClH/c1-14(5-4-6-16-9-14)10-17-22(20,21)11-7-12(13(19)15-2)18(3)8-11;/h7-8,16-17H,4-6,9-10H2,1-3H3,(H,15,19);1H.
What are the key properties of N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride?
N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120720680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).