N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide

C10H21NOS — CID 115662209

IUPACN-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
SMILESCCSCCC(C)NC(=O)C(C)C
InChIInChI=1S/C10H21NOS/c1-5-13-7-6-9(4)11-10(12)8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyPLISUDVIIWLSHV-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.29
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide

N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide (PubChem CID 115662209) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
PubChem CID115662209
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
SMILESCCSCCC(C)NC(=O)C(C)C
InChIInChI=1S/C10H21NOS/c1-5-13-7-6-9(4)11-10(12)8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyPLISUDVIIWLSHV-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
CID 115734470
(2S,3S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylpentanamide
CID 103833178
2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoacetic acid
CID 104768118
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-4-methylpentanamide
CID 113266963
N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 115665163
2-[2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104588503
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
CID 115740017
3-amino-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylpropanamide
CID 115740019
4-ethylsulfanyl-N-propan-2-ylbutan-2-amine
CID 115906033
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
(2S)-4-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007752

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide (CID 115662209) is N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide is CCSCCC(C)NC(=O)C(C)C.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide?
The InChIKey is PLISUDVIIWLSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-13-7-6-9(4)11-10(12)8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide?
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide has a molecular weight of 203.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 115662209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).