1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene

C14H23N3O2S2 — CID 106057758

IUPAC1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene
SMILESCSc1ccc(NS(=O)(=O)N(C)CCCNC2CC2)cc1
InChIInChI=1S/C14H23N3O2S2/c1-17(11-3-10-15-12-4-5-12)21(18,19)16-13-6-8-14(20-2)9-7-13/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyDDEZIDJWCCEKSS-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.14
Rot. Bonds9

About 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene

1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene (PubChem CID 106057758) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene
PubChem CID106057758
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene
SMILESCSc1ccc(NS(=O)(=O)N(C)CCCNC2CC2)cc1
InChIInChI=1S/C14H23N3O2S2/c1-17(11-3-10-15-12-4-5-12)21(18,19)16-13-6-8-14(20-2)9-7-13/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyDDEZIDJWCCEKSS-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.14
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

1-bromo-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-fluorobenzene
CID 106087475
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene
CID 106031029
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
CID 106084052
3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
CID 106086534
2-bromo-4-chloro-1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]benzene
CID 106073444
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106331865
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
[3-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene?
The IUPAC name of 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene (CID 106057758) is 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene.
What is the SMILES notation for 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene?
The canonical SMILES for 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene is CSc1ccc(NS(=O)(=O)N(C)CCCNC2CC2)cc1.
What is the InChIKey of 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene?
The InChIKey is DDEZIDJWCCEKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-17(11-3-10-15-12-4-5-12)21(18,19)16-13-6-8-14(20-2)9-7-13/h6-9,12,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene?
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene has a molecular weight of 329.49 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene is sourced from PubChem (CID 106057758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).