2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide

C13H20N2O2S2 — CID 106063690

IUPAC2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccccc1CNC1CC1
InChIInChI=1S/C13H20N2O2S2/c1-18-9-8-15-19(16,17)13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14-15H,6-10H2,1H3
InChIKeyGYMAPTXKDVZUTM-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.58
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide

2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 106063690) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID106063690
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccccc1CNC1CC1
InChIInChI=1S/C13H20N2O2S2/c1-18-9-8-15-19(16,17)13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14-15H,6-10H2,1H3
InChIKeyGYMAPTXKDVZUTM-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106055884
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
3-[(cyclopropylamino)methyl]-2-methyl-N-pentylbenzenesulfonamide
CID 106058213
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
3-[(cyclopropylamino)methyl]-2-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079650
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
5-[(cyclopropylamino)methyl]-3-fluoro-2-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063778
4-chloro-3-[(cyclopropylamino)methyl]-5-fluoro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063797
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424008
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069321
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 106063690) is 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCNS(=O)(=O)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is GYMAPTXKDVZUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-18-9-8-15-19(16,17)13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14-15H,6-10H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide?
2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 106063690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).