3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide

C13H22N4O3S — CID 106332615

IUPAC3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCNS(C)(=O)=O)cc1N
InChIInChI=1S/C13H22N4O3S/c1-17(2)12-6-5-10(9-11(12)14)13(18)15-7-4-8-16-21(3,19)20/h5-6,9,16H,4,7-8,14H2,1-3H3,(H,15,18)
InChIKeyGMSWYPOTSOCCQF-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.00
Rot. Bonds7

About 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide

3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide (PubChem CID 106332615) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide
PubChem CID106332615
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCNS(C)(=O)=O)cc1N
InChIInChI=1S/C13H22N4O3S/c1-17(2)12-6-5-10(9-11(12)14)13(18)15-7-4-8-16-21(3,19)20/h5-6,9,16H,4,7-8,14H2,1-3H3,(H,15,18)
InChIKeyGMSWYPOTSOCCQF-UHFFFAOYSA-N
XLogP0.00
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.00
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

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CID 114098981
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
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3-amino-4-bromo-N-[2-(methanesulfonamido)ethyl]benzamide
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CID 62842877
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433
3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106179724
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
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3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
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CID 106391732

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide (CID 106332615) is 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide is CN(C)c1ccc(C(=O)NCCCNS(C)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide?
The InChIKey is GMSWYPOTSOCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-17(2)12-6-5-10(9-11(12)14)13(18)15-7-4-8-16-21(3,19)20/h5-6,9,16H,4,7-8,14H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide?
3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide is sourced from PubChem (CID 106332615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).