(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride

C14H24ClN3O3S — CID 119704283

IUPAC(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-11(2)10-13(15)14(18)16-8-9-17-21(19,20)12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10,15H2,1-2H3,(H,16,18);1H/t13-;/m0./s1
InChIKeyDRSMQHJTJIGDFH-ZOWNYOTGSA-N
MW349.88 g/mol
LogP0.88
Rot. Bonds8

About (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride (PubChem CID 119704283) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
PubChem CID119704283
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-11(2)10-13(15)14(18)16-8-9-17-21(19,20)12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10,15H2,1-2H3,(H,16,18);1H/t13-;/m0./s1
InChIKeyDRSMQHJTJIGDFH-ZOWNYOTGSA-N
XLogP0.88
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
CID 119279112
2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide
CID 119704272
(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide
CID 119745106
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
CID 54881057
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
N-(4-aminopentyl)benzenesulfonamide
CID 106125730

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride (CID 119704283) is (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride?
The InChIKey is DRSMQHJTJIGDFH-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-11(2)10-13(15)14(18)16-8-9-17-21(19,20)12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10,15H2,1-2H3,(H,16,18);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119704283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).