2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide

C10H17N3O2S2 — CID 112674921

IUPAC2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
SMILESCSCCCNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C10H17N3O2S2/c1-16-7-3-6-13-8-4-2-5-9(10(8)11)17(12,14)15/h2,4-5,13H,3,6-7,11H2,1H3,(H2,12,14,15)
InChIKeyHOTCAAOZQOSAIM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.08
Rot. Bonds6

About 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide

2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide (PubChem CID 112674921) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
PubChem CID112674921
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
SMILESCSCCCNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C10H17N3O2S2/c1-16-7-3-6-13-8-4-2-5-9(10(8)11)17(12,14)15/h2,4-5,13H,3,6-7,11H2,1H3,(H2,12,14,15)
InChIKeyHOTCAAOZQOSAIM-UHFFFAOYSA-N
XLogP1.08
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
3-chloro-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 104834578
2-amino-3-(3-methylsulfanylpropylamino)benzonitrile
CID 104716786
2-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 63981409
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-3-methylsulfanylbenzenesulfonamide
CID 112675184
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide (CID 112674921) is 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide is CSCCCNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The InChIKey is HOTCAAOZQOSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-16-7-3-6-13-8-4-2-5-9(10(8)11)17(12,14)15/h2,4-5,13H,3,6-7,11H2,1H3,(H2,12,14,15).
What are the key properties of 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide has a molecular weight of 275.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide is sourced from PubChem (CID 112674921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).