N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide

C14H22N2O2S — CID 43598649

IUPACN-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCNC2CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-12-4-8-14(9-5-12)19(17,18)16-11-3-10-15-13-6-7-13/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3
InChIKeyMWYOMCGAJXUJLN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.67
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide

N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide (PubChem CID 43598649) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
PubChem CID43598649
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCNC2CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-12-4-8-14(9-5-12)19(17,18)16-11-3-10-15-13-6-7-13/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3
InChIKeyMWYOMCGAJXUJLN-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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

N-[3-(cyclopropylamino)propyl]-4-nitrobenzenesulfonamide
CID 43598615
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[3-(cyclopropylamino)propyl]-3-fluoro-4-methylbenzenesulfonamide
CID 43598658
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-N-cyclopropyl-1-N-[3-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 119964978
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
CID 90392756
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide (CID 43598649) is N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCCNC2CC2)cc1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide?
The InChIKey is MWYOMCGAJXUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-12-4-8-14(9-5-12)19(17,18)16-11-3-10-15-13-6-7-13/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide?
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 43598649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).