4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide

C14H25N3O3S — CID 82942122

IUPAC4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
SMILESCCCOCCCNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C14H25N3O3S/c1-4-9-20-10-5-8-16-14-11-12(6-7-13(14)15)21(18,19)17(2)3/h6-7,11,16H,4-5,8-10,15H2,1-3H3
InChIKeyBABCALNYCGIWGP-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.75
Rot. Bonds9

About 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide

4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide (PubChem CID 82942122) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
PubChem CID82942122
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
SMILESCCCOCCCNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C14H25N3O3S/c1-4-9-20-10-5-8-16-14-11-12(6-7-13(14)15)21(18,19)17(2)3/h6-7,11,16H,4-5,8-10,15H2,1-3H3
InChIKeyBABCALNYCGIWGP-UHFFFAOYSA-N
XLogP1.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
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

4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-3-(3-propoxypropylamino)benzonitrile
CID 113444258
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide (CID 82942122) is 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide is CCCOCCCNc1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide?
The InChIKey is BABCALNYCGIWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-9-20-10-5-8-16-14-11-12(6-7-13(14)15)21(18,19)17(2)3/h6-7,11,16H,4-5,8-10,15H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide?
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide is sourced from PubChem (CID 82942122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).