1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

C13H19N3O3S — CID 115452372

IUPAC1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H19N3O3S/c1-9(16-12(17)13(8-14)6-7-13)10-2-4-11(5-3-10)20(15,18)19/h2-5,9H,6-8,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKZQCYGBROCREML-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.25
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115452372) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115452372
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H19N3O3S/c1-9(16-12(17)13(8-14)6-7-13)10-2-4-11(5-3-10)20(15,18)19/h2-5,9H,6-8,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKZQCYGBROCREML-UHFFFAOYSA-N
XLogP0.25
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447604
1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197186
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115452372) is 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(CN)CC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is KZQCYGBROCREML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(16-12(17)13(8-14)6-7-13)10-2-4-11(5-3-10)20(15,18)19/h2-5,9H,6-8,14H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).