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

C12H27ClN2OS — CID 119817465

IUPACN-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCCSCCC(C)N(C)C(=O)CCCNC.Cl
InChIInChI=1S/C12H26N2OS.ClH/c1-5-16-10-8-11(2)14(4)12(15)7-6-9-13-3;/h11,13H,5-10H2,1-4H3;1H
InChIKeyHYZKJYAMIPCSGZ-UHFFFAOYSA-N
MW282.88 g/mol
LogP2.40
Rot. Bonds9

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

N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride (PubChem CID 119817465) has the molecular formula C12H27ClN2OS and a molecular weight of 282.88 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
PubChem CID119817465
Molecular FormulaC12H27ClN2OS
Molecular Weight282.88 g/mol
Exact Mass282.15
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCCSCCC(C)N(C)C(=O)CCCNC.Cl
InChIInChI=1S/C12H26N2OS.ClH/c1-5-16-10-8-11(2)14(4)12(15)7-6-9-13-3;/h11,13H,5-10H2,1-4H3;1H
InChIKeyHYZKJYAMIPCSGZ-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.88
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride
CID 119791046
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119786350
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594
5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 107910661
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119952430
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 119952431
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide
CID 82852575
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride (CID 119817465) is N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride is CCSCCC(C)N(C)C(=O)CCCNC.Cl.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride?
The InChIKey is HYZKJYAMIPCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS.ClH/c1-5-16-10-8-11(2)14(4)12(15)7-6-9-13-3;/h11,13H,5-10H2,1-4H3;1H.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride?
N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride has a molecular weight of 282.88 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119817465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).