N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride

C11H20ClN3O4S — CID 119409085

IUPACN-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCCN.Cl
InChIInChI=1S/C11H19N3O4S.ClH/c1-8-9(11(15)13-6-4-5-12)7-10(18-8)19(16,17)14(2)3;/h7H,4-6,12H2,1-3H3,(H,13,15);1H
InChIKeyKVUINVXNHANIAQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP0.34
Rot. Bonds6

About N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride

N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride (PubChem CID 119409085) has the molecular formula C11H20ClN3O4S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride
PubChem CID119409085
Molecular FormulaC11H20ClN3O4S
Molecular Weight325.82 g/mol
Exact Mass325.09
IUPAC NameN-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCCN.Cl
InChIInChI=1S/C11H19N3O4S.ClH/c1-8-9(11(15)13-6-4-5-12)7-10(18-8)19(16,17)14(2)3;/h7H,4-6,12H2,1-3H3,(H,13,15);1H
InChIKeyKVUINVXNHANIAQ-UHFFFAOYSA-N
XLogP0.34
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 119434335
5-(dimethylsulfamoyl)-2-methyl-N-(2-piperazin-1-ylethyl)furan-3-carboxamide;hydrochloride
CID 119449323
5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
CID 2736868
2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
CID 119346496
7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid
CID 119350785
5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide
CID 71974070
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-[2-(ethylamino)ethyl]-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 119507697
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119648455
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride (CID 119409085) is N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride is Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride?
The InChIKey is KVUINVXNHANIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S.ClH/c1-8-9(11(15)13-6-4-5-12)7-10(18-8)19(16,17)14(2)3;/h7H,4-6,12H2,1-3H3,(H,13,15);1H.
What are the key properties of N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride has a molecular weight of 325.82 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119409085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).