N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride

C10H17ClN2O2S — CID 120832608

IUPACN-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(SC)o1.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-7(11-2)6-12-10(13)8-4-5-9(14-8)15-3;/h4-5,7,11H,6H2,1-3H3,(H,12,13);1H
InChIKeyXBXHPGDGYPTGOU-UHFFFAOYSA-N
MW264.78 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride

N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride (PubChem CID 120832608) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride
PubChem CID120832608
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC NameN-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(SC)o1.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-7(11-2)6-12-10(13)8-4-5-9(14-8)15-3;/h4-5,7,11H,6H2,1-3H3,(H,12,13);1H
InChIKeyXBXHPGDGYPTGOU-UHFFFAOYSA-N
XLogP1.76
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide
CID 111425891
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide
CID 119406286
2-[2-[(5-methylsulfanylfuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241464
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120830398
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
2-(4-ethylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120832655
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide
CID 86940495
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride (CID 120832608) is N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride is CNC(C)CNC(=O)c1ccc(SC)o1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride?
The InChIKey is XBXHPGDGYPTGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S.ClH/c1-7(11-2)6-12-10(13)8-4-5-9(14-8)15-3;/h4-5,7,11H,6H2,1-3H3,(H,12,13);1H.
What are the key properties of N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride has a molecular weight of 264.78 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120832608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).