N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride

C13H21ClN4O5S — CID 119430375

IUPACN-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCNCCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C13H20N4O5S.ClH/c1-14-8-2-9-15-13(18)7-10-16-23(21,22)12-5-3-11(4-6-12)17(19)20;/h3-6,14,16H,2,7-10H2,1H3,(H,15,18);1H
InChIKeyGQZAIQVWBHXLDN-UHFFFAOYSA-N
MW380.85 g/mol
LogP0.41
Rot. Bonds10

About N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride

N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119430375) has the molecular formula C13H21ClN4O5S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119430375
Molecular FormulaC13H21ClN4O5S
Molecular Weight380.85 g/mol
Exact Mass380.09
IUPAC NameN-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCNCCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C13H20N4O5S.ClH/c1-14-8-2-9-15-13(18)7-10-16-23(21,22)12-5-3-11(4-6-12)17(19)20;/h3-6,14,16H,2,7-10H2,1H3,(H,15,18);1H
InChIKeyGQZAIQVWBHXLDN-UHFFFAOYSA-N
XLogP0.41
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119305436
3-[(4-nitrophenyl)sulfonylamino]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391413
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
CID 119445662
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
methyl 4-[(4-nitrophenyl)sulfonylamino]butanoate
CID 2054576

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride (CID 119430375) is N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride is CNCCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is GQZAIQVWBHXLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S.ClH/c1-14-8-2-9-15-13(18)7-10-16-23(21,22)12-5-3-11(4-6-12)17(19)20;/h3-6,14,16H,2,7-10H2,1H3,(H,15,18);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride?
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 380.85 g/mol, XLogP of 0.41, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119430375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).