N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride

C14H26ClN3O4S — CID 119572156

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1.Cl
InChIInChI=1S/C14H25N3O4S.ClH/c1-6-14(7-2,9-15)16-13(18)11-8-12(10(3)21-11)22(19,20)17(4)5;/h8H,6-7,9,15H2,1-5H3,(H,16,18);1H
InChIKeyQPVSDUXGFSBUGA-UHFFFAOYSA-N
MW367.90 g/mol
LogP1.51
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119572156) has the molecular formula C14H26ClN3O4S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
PubChem CID119572156
Molecular FormulaC14H26ClN3O4S
Molecular Weight367.90 g/mol
Exact Mass367.13
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1.Cl
InChIInChI=1S/C14H25N3O4S.ClH/c1-6-14(7-2,9-15)16-13(18)11-8-12(10(3)21-11)22(19,20)17(4)5;/h8H,6-7,9,15H2,1-5H3,(H,16,18);1H
InChIKeyQPVSDUXGFSBUGA-UHFFFAOYSA-N
XLogP1.51
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119609108
N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119570912
N-(2-amino-1-cyclohexylethyl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119592207
3-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]butanoic acid
CID 119347905
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
CID 119569299
4-(dimethylsulfamoyl)-5-methyl-N-(3-methyloxan-3-yl)furan-2-carboxamide
CID 146125240
4-(dimethylsulfamoyl)-5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 119429351
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119364373
(2S)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119361847
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
CID 119352297
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119568785

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride (CID 119572156) is N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is QPVSDUXGFSBUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S.ClH/c1-6-14(7-2,9-15)16-13(18)11-8-12(10(3)21-11)22(19,20)17(4)5;/h8H,6-7,9,15H2,1-5H3,(H,16,18);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119572156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).