1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide

C13H18N2O3S — CID 103308179

IUPAC1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-9(2)19(17,18)15-12(16)13(7-8-13)10-3-5-11(14)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyUHPOQNFYSAQVLH-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.15
Rot. Bonds4

About 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide

1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide (PubChem CID 103308179) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide
PubChem CID103308179
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-9(2)19(17,18)15-12(16)13(7-8-13)10-3-5-11(14)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyUHPOQNFYSAQVLH-UHFFFAOYSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930596
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
1-(4-aminophenyl)-N-(1,1-dimethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 115913719
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide
CID 106188279
1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 103109008
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 115913536
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide (CID 103308179) is 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide is CC(C)S(=O)(=O)NC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide?
The InChIKey is UHPOQNFYSAQVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(2)19(17,18)15-12(16)13(7-8-13)10-3-5-11(14)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 103308179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).