N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide

C9H17NOS — CID 123758494

IUPACN-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide
SMILESCCSC(=CC(C)C)NC(C)=O
InChIInChI=1S/C9H17NOS/c1-5-12-9(6-7(2)3)10-8(4)11/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyRIQUKPRJYFQFNZ-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.37
Rot. Bonds4

About N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide

N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide (PubChem CID 123758494) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide.

Molecular Properties

Compound NameN-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide
PubChem CID123758494
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide
SMILESCCSC(=CC(C)C)NC(C)=O
InChIInChI=1S/C9H17NOS/c1-5-12-9(6-7(2)3)10-8(4)11/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyRIQUKPRJYFQFNZ-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-acetamido-N,4-dimethylpent-2-enamide
CID 102329590
N-acetyl-2-methylbutanamide
CID 59565834
N-acetyl-3-methyl-4-oxobutanamide;ethane;propane
CID 143333813
S-propan-2-yl (Z)-3-ethylsulfanylbut-2-enethioate
CID 21160498
3,5-dimethylhex-3-enamide
CID 76566666
2-[(2-acetamidoacetyl)amino]-4-methylpent-2-enoic acid
CID 131859719
S-ethyl 3-oxobutanethioate
CID 538325
methyl (Z)-2-acetyl-4-methylpent-2-enoate
CID 23247156
(E)-1,1-diethoxy-3-ethylsulfanylbut-2-ene
CID 13173023
1,1-diethoxy-3-ethylsulfanylbut-2-ene
CID 71322262
2-acetyl-4-methylpent-2-enoic acid
CID 71401454
(Z)-2,4-dimethylhex-3-ene
CID 5463169

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide?
The IUPAC name of N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide (CID 123758494) is N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide.
What is the SMILES notation for N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide?
The canonical SMILES for N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide is CCSC(=CC(C)C)NC(C)=O.
What is the InChIKey of N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide?
The InChIKey is RIQUKPRJYFQFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-5-12-9(6-7(2)3)10-8(4)11/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide?
N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide has a molecular weight of 187.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide is sourced from PubChem (CID 123758494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).