1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide

C10H22N4O3S — CID 54986272

IUPAC1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H22N4O3S/c1-12-10(15)9-5-3-8-14(9)18(16,17)13(2)7-4-6-11/h9H,3-8,11H2,1-2H3,(H,12,15)
InChIKeyYFOZTJQQRUPDHE-UHFFFAOYSA-N
MW278.38 g/mol
LogP-1.28
Rot. Bonds6

About 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide

1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 54986272) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID54986272
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H22N4O3S/c1-12-10(15)9-5-3-8-14(9)18(16,17)13(2)7-4-6-11/h9H,3-8,11H2,1-2H3,(H,12,15)
InChIKeyYFOZTJQQRUPDHE-UHFFFAOYSA-N
XLogP-1.28
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4aR,8aR)-N-(3-aminopropyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 102726076
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
CID 116634407
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103194926
N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
CID 114238612
1-[3-aminopropyl(methyl)sulfamoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318053
methyl 4-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 61460139
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide (CID 54986272) is 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1S(=O)(=O)N(C)CCCN.
What is the InChIKey of 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is YFOZTJQQRUPDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-12-10(15)9-5-3-8-14(9)18(16,17)13(2)7-4-6-11/h9H,3-8,11H2,1-2H3,(H,12,15).
What are the key properties of 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide?
1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of -1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54986272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).