N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride

C11H25ClN2OS — CID 119791046

IUPACN-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCCSCCC(C)NC(=O)CCCNC.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-4-15-9-7-10(2)13-11(14)6-5-8-12-3;/h10,12H,4-9H2,1-3H3,(H,13,14);1H
InChIKeyIINQGASGNWOGQG-UHFFFAOYSA-N
MW268.85 g/mol
LogP2.06
Rot. Bonds9

About N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride

N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119791046) has the molecular formula C11H25ClN2OS and a molecular weight of 268.85 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119791046
Molecular FormulaC11H25ClN2OS
Molecular Weight268.85 g/mol
Exact Mass268.14
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCCSCCC(C)NC(=O)CCCNC.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-4-15-9-7-10(2)13-11(14)6-5-8-12-3;/h10,12H,4-9H2,1-3H3,(H,13,14);1H
InChIKeyIINQGASGNWOGQG-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.85
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119817465
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
3-ethylsulfanyl-N-heptan-2-ylpropanamide
CID 87001996
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
2-[2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104588503
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
CID 115740017
1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119327797
2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoacetic acid
CID 104768118
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
CID 119687959
N-but-3-yn-2-yl-4-(methylamino)butanamide
CID 114417259
2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161586
(2S)-3-methyl-2-[4-(methylamino)butanoylamino]pentanoic acid
CID 61174333

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride (CID 119791046) is N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride is CCSCCC(C)NC(=O)CCCNC.Cl.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is IINQGASGNWOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS.ClH/c1-4-15-9-7-10(2)13-11(14)6-5-8-12-3;/h10,12H,4-9H2,1-3H3,(H,13,14);1H.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride?
N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 268.85 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119791046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).