3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride

C14H24ClN3O4S2 — CID 142647877

IUPAC3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride
SMILESCSCCC(N)C(O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-22-9-7-12(15)13(18)14(19)17-8-6-10-2-4-11(5-3-10)23(16,20)21;/h2-5,12-13,18H,6-9,15H2,1H3,(H,17,19)(H2,16,20,21);1H
InChIKeyMMUAUZHEWOZEEM-UHFFFAOYSA-N
MW397.95 g/mol
LogP-0.14
Rot. Bonds9

About 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride

3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride (PubChem CID 142647877) has the molecular formula C14H24ClN3O4S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride
PubChem CID142647877
Molecular FormulaC14H24ClN3O4S2
Molecular Weight397.95 g/mol
Exact Mass397.09
IUPAC Name3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride
SMILESCSCCC(N)C(O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-22-9-7-12(15)13(18)14(19)17-8-6-10-2-4-11(5-3-10)23(16,20)21;/h2-5,12-13,18H,6-9,15H2,1H3,(H,17,19)(H2,16,20,21);1H
InChIKeyMMUAUZHEWOZEEM-UHFFFAOYSA-N
XLogP-0.14
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 141016956
(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-phenoxyphenyl)ethyl]pentanamide;hydrochloride
CID 70064787
(2R)-2-amino-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 104906766
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 68795830
1-ethyl-2-(4-methylsulfanylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111628813
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
(2R)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104906757
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride (CID 142647877) is 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride is CSCCC(N)C(O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.Cl.
What is the InChIKey of 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride?
The InChIKey is MMUAUZHEWOZEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2.ClH/c1-22-9-7-12(15)13(18)14(19)17-8-6-10-2-4-11(5-3-10)23(16,20)21;/h2-5,12-13,18H,6-9,15H2,1H3,(H,17,19)(H2,16,20,21);1H.
What are the key properties of 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride?
3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of -0.14, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 142647877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).