N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride

C13H24ClN3O4S — CID 119667798

IUPACN-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(CNS(C)(=O)=O)o1.Cl
InChIInChI=1S/C13H23N3O4S.ClH/c1-3-4-5-10(8-14)16-13(17)12-7-6-11(20-12)9-15-21(2,18)19;/h6-7,10,15H,3-5,8-9,14H2,1-2H3,(H,16,17);1H
InChIKeyCPWUMUKKELETKC-UHFFFAOYSA-N
MW353.87 g/mol
LogP1.00
Rot. Bonds9

About N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119667798) has the molecular formula C13H24ClN3O4S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
PubChem CID119667798
Molecular FormulaC13H24ClN3O4S
Molecular Weight353.87 g/mol
Exact Mass353.12
IUPAC NameN-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(CNS(C)(=O)=O)o1.Cl
InChIInChI=1S/C13H23N3O4S.ClH/c1-3-4-5-10(8-14)16-13(17)12-7-6-11(20-12)9-15-21(2,18)19;/h6-7,10,15H,3-5,8-9,14H2,1-2H3,(H,16,17);1H
InChIKeyCPWUMUKKELETKC-UHFFFAOYSA-N
XLogP1.00
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119665668
N-(1-aminohexan-2-yl)-5-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119665591
(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369372
N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
CID 119642867
N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 119665414
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
CID 120518633
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533805
N-(1-aminohexan-2-yl)-4-[(carbamoylamino)methyl]benzamide
CID 119665299
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
5-(methanesulfonamidomethyl)-N-(1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
CID 75377815
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride (CID 119667798) is N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(CNS(C)(=O)=O)o1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is CPWUMUKKELETKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S.ClH/c1-3-4-5-10(8-14)16-13(17)12-7-6-11(20-12)9-15-21(2,18)19;/h6-7,10,15H,3-5,8-9,14H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 353.87 g/mol, XLogP of 1.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119667798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).