3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide

C14H22N2O2S — CID 107591687

IUPAC3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-12-6-3-4-7-14(12)16-19(17,18)11-5-10-15-13-8-9-13/h3-4,6-7,13,15-16H,2,5,8-11H2,1H3
InChIKeyACBGAAZGVNGVSV-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.13
Rot. Bonds8

About 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide (PubChem CID 107591687) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
PubChem CID107591687
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-12-6-3-4-7-14(12)16-19(17,18)11-5-10-15-13-8-9-13/h3-4,6-7,13,15-16H,2,5,8-11H2,1H3
InChIKeyACBGAAZGVNGVSV-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 106005891
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106026055
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide (CID 107591687) is 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide is CCc1ccccc1NS(=O)(=O)CCCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide?
The InChIKey is ACBGAAZGVNGVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-12-6-3-4-7-14(12)16-19(17,18)11-5-10-15-13-8-9-13/h3-4,6-7,13,15-16H,2,5,8-11H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 107591687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).