N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride

C14H24ClN3O3S — CID 45264573

IUPACN-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
SMILESCCCN(CCC)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-4-7-16(8-5-2)9-6-15-14(18)13-10-12(17(19)20)11(3)21-13;/h10H,4-9H2,1-3H3,(H,15,18);1H
InChIKeyHSXYYANAGDGYSU-UHFFFAOYSA-N
MW349.88 g/mol
LogP3.24
Rot. Bonds9

About N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride

N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride (PubChem CID 45264573) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
PubChem CID45264573
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC NameN-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
SMILESCCCN(CCC)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-4-7-16(8-5-2)9-6-15-14(18)13-10-12(17(19)20)11(3)21-13;/h10H,4-9H2,1-3H3,(H,15,18);1H
InChIKeyHSXYYANAGDGYSU-UHFFFAOYSA-N
XLogP3.24
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride (CID 45264573) is N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride is CCCN(CCC)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1.Cl.
What is the InChIKey of N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The InChIKey is HSXYYANAGDGYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-4-7-16(8-5-2)9-6-15-14(18)13-10-12(17(19)20)11(3)21-13;/h10H,4-9H2,1-3H3,(H,15,18);1H.
What are the key properties of N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 45264573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).