4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline

C14H23N3OS — CID 165458773

IUPAC4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline
SMILESCC(C)CN=S(=O)(c1ccc(N)cc1)N(C)C1CC1
InChIInChI=1S/C14H23N3OS/c1-11(2)10-16-19(18,17(3)13-6-7-13)14-8-4-12(15)5-9-14/h4-5,8-9,11,13H,6-7,10,15H2,1-3H3
InChIKeyUFHXAKZAJXDCBV-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.76
Rot. Bonds5

About 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline

4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline (PubChem CID 165458773) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline.

Molecular Properties

Compound Name4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline
PubChem CID165458773
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline
SMILESCC(C)CN=S(=O)(c1ccc(N)cc1)N(C)C1CC1
InChIInChI=1S/C14H23N3OS/c1-11(2)10-16-19(18,17(3)13-6-7-13)14-8-4-12(15)5-9-14/h4-5,8-9,11,13H,6-7,10,15H2,1-3H3
InChIKeyUFHXAKZAJXDCBV-UHFFFAOYSA-N
XLogP2.76
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline
CID 165458769
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 55001042
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide
CID 63689580
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide
CID 61368602
1-N-cyclopropyl-1-N-(3-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 78973880
4-[N-butan-2-yl-S-(cyclobutylamino)sulfonimidoyl]aniline
CID 165451652
(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 99647030

Frequently Asked Questions

What is the IUPAC name of 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline?
The IUPAC name of 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline (CID 165458773) is 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline.
What is the SMILES notation for 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline?
The canonical SMILES for 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline is CC(C)CN=S(=O)(c1ccc(N)cc1)N(C)C1CC1.
What is the InChIKey of 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline?
The InChIKey is UFHXAKZAJXDCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11(2)10-16-19(18,17(3)13-6-7-13)14-8-4-12(15)5-9-14/h4-5,8-9,11,13H,6-7,10,15H2,1-3H3.
What are the key properties of 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline?
4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline has a molecular weight of 281.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline is sourced from PubChem (CID 165458773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).