N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride

C12H22ClN3O4S — CID 119588835

IUPACN-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
SMILESCc1oc(C(=O)NC(CN)CC(C)C)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C12H21N3O4S.ClH/c1-7(2)4-9(6-13)15-12(16)10-5-11(8(3)19-10)20(14,17)18;/h5,7,9H,4,6,13H2,1-3H3,(H,15,16)(H2,14,17,18);1H
InChIKeyNLMQQBVHWIBHRB-UHFFFAOYSA-N
MW339.85 g/mol
LogP0.76
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride (PubChem CID 119588835) has the molecular formula C12H22ClN3O4S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
PubChem CID119588835
Molecular FormulaC12H22ClN3O4S
Molecular Weight339.85 g/mol
Exact Mass339.10
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
SMILESCc1oc(C(=O)NC(CN)CC(C)C)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C12H21N3O4S.ClH/c1-7(2)4-9(6-13)15-12(16)10-5-11(8(3)19-10)20(14,17)18;/h5,7,9H,4,6,13H2,1-3H3,(H,15,16)(H2,14,17,18);1H
InChIKeyNLMQQBVHWIBHRB-UHFFFAOYSA-N
XLogP0.76
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387104
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
CID 65387670
N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
CID 63887141
2-cyclopropyl-2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]acetic acid
CID 119213842
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide
CID 119586216
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 119587854
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119364373

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride (CID 119588835) is N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride is Cc1oc(C(=O)NC(CN)CC(C)C)cc1S(N)(=O)=O.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride?
The InChIKey is NLMQQBVHWIBHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S.ClH/c1-7(2)4-9(6-13)15-12(16)10-5-11(8(3)19-10)20(14,17)18;/h5,7,9H,4,6,13H2,1-3H3,(H,15,16)(H2,14,17,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride has a molecular weight of 339.85 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119588835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).