3-[(3-aminobenzoyl)amino]propyl sulfamate

C10H15N3O4S — CID 121382844

IUPAC3-[(3-aminobenzoyl)amino]propyl sulfamate
SMILESNc1cccc(C(=O)NCCCOS(N)(=O)=O)c1
InChIInChI=1S/C10H15N3O4S/c11-9-4-1-3-8(7-9)10(14)13-5-2-6-17-18(12,15)16/h1,3-4,7H,2,5-6,11H2,(H,13,14)(H2,12,15,16)
InChIKeyQTLNVRVOHUXDJP-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.39
Rot. Bonds6

About 3-[(3-aminobenzoyl)amino]propyl sulfamate

3-[(3-aminobenzoyl)amino]propyl sulfamate (PubChem CID 121382844) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[(3-aminobenzoyl)amino]propyl sulfamate.

Molecular Properties

Compound Name3-[(3-aminobenzoyl)amino]propyl sulfamate
PubChem CID121382844
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-[(3-aminobenzoyl)amino]propyl sulfamate
SMILESNc1cccc(C(=O)NCCCOS(N)(=O)=O)c1
InChIInChI=1S/C10H15N3O4S/c11-9-4-1-3-8(7-9)10(14)13-5-2-6-17-18(12,15)16/h1,3-4,7H,2,5-6,11H2,(H,13,14)(H2,12,15,16)
InChIKeyQTLNVRVOHUXDJP-UHFFFAOYSA-N
XLogP-0.39
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.39
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

3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide
CID 119763137
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminobenzoyl)amino]propyl sulfamate?
The IUPAC name of 3-[(3-aminobenzoyl)amino]propyl sulfamate (CID 121382844) is 3-[(3-aminobenzoyl)amino]propyl sulfamate.
What is the SMILES notation for 3-[(3-aminobenzoyl)amino]propyl sulfamate?
The canonical SMILES for 3-[(3-aminobenzoyl)amino]propyl sulfamate is Nc1cccc(C(=O)NCCCOS(N)(=O)=O)c1.
What is the InChIKey of 3-[(3-aminobenzoyl)amino]propyl sulfamate?
The InChIKey is QTLNVRVOHUXDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c11-9-4-1-3-8(7-9)10(14)13-5-2-6-17-18(12,15)16/h1,3-4,7H,2,5-6,11H2,(H,13,14)(H2,12,15,16).
What are the key properties of 3-[(3-aminobenzoyl)amino]propyl sulfamate?
3-[(3-aminobenzoyl)amino]propyl sulfamate has a molecular weight of 273.31 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminobenzoyl)amino]propyl sulfamate is sourced from PubChem (CID 121382844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).