(E)-N-(5-methylsulfanylpentyl)but-2-enamide

C10H19NOS — CID 104920081

IUPAC(E)-N-(5-methylsulfanylpentyl)but-2-enamide
SMILESC/C=C/C(=O)NCCCCCSC
InChIInChI=1S/C10H19NOS/c1-3-7-10(12)11-8-5-4-6-9-13-2/h3,7H,4-6,8-9H2,1-2H3,(H,11,12)/b7-3+
InChIKeyLYPNPOODDUWMKY-XVNBXDOJSA-N
MW201.34 g/mol
LogP2.21
Rot. Bonds7

About (E)-N-(5-methylsulfanylpentyl)but-2-enamide

(E)-N-(5-methylsulfanylpentyl)but-2-enamide (PubChem CID 104920081) has the molecular formula C10H19NOS and a molecular weight of 201.34 g/mol. Its IUPAC name is (E)-N-(5-methylsulfanylpentyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-methylsulfanylpentyl)but-2-enamide
PubChem CID104920081
Molecular FormulaC10H19NOS
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Name(E)-N-(5-methylsulfanylpentyl)but-2-enamide
SMILESC/C=C/C(=O)NCCCCCSC
InChIInChI=1S/C10H19NOS/c1-3-7-10(12)11-8-5-4-6-9-13-2/h3,7H,4-6,8-9H2,1-2H3,(H,11,12)/b7-3+
InChIKeyLYPNPOODDUWMKY-XVNBXDOJSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(methylamino)pentyl]but-2-enamide
CID 91428426
N-(7-methyloctyl)but-2-enamide
CID 112727082
(E)-4-(5-methylsulfanylpentylcarbamoylamino)-4-oxobut-2-enoic acid
CID 114128331
N-(4-methylsulfanylbutyl)acetamide
CID 115635829
N-[5-(diethylamino)pentyl]but-2-enamide
CID 91596429
N-(5-methylsulfanylpentyl)propanamide
CID 104920124
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]but-2-enamide
CID 103801044
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
(E)-N-(4-pyrrolidin-1-ylbutyl)but-2-enamide
CID 110459707
potassium 3-(but-2-enoylamino)propane-1-sulfonate
CID 141499458

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methylsulfanylpentyl)but-2-enamide?
The IUPAC name of (E)-N-(5-methylsulfanylpentyl)but-2-enamide (CID 104920081) is (E)-N-(5-methylsulfanylpentyl)but-2-enamide.
What is the SMILES notation for (E)-N-(5-methylsulfanylpentyl)but-2-enamide?
The canonical SMILES for (E)-N-(5-methylsulfanylpentyl)but-2-enamide is C/C=C/C(=O)NCCCCCSC.
What is the InChIKey of (E)-N-(5-methylsulfanylpentyl)but-2-enamide?
The InChIKey is LYPNPOODDUWMKY-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-7-10(12)11-8-5-4-6-9-13-2/h3,7H,4-6,8-9H2,1-2H3,(H,11,12)/b7-3+.
What are the key properties of (E)-N-(5-methylsulfanylpentyl)but-2-enamide?
(E)-N-(5-methylsulfanylpentyl)but-2-enamide has a molecular weight of 201.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-methylsulfanylpentyl)but-2-enamide is sourced from PubChem (CID 104920081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).