(Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide

C12H21NOS — CID 129039558

IUPAC(Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide
SMILESCC(C)/C=C(\SC(C)C)C(=O)NC1CC1
InChIInChI=1S/C12H21NOS/c1-8(2)7-11(15-9(3)4)12(14)13-10-5-6-10/h7-10H,5-6H2,1-4H3,(H,13,14)/b11-7-
InChIKeyPXCXWTJWWFMICO-XFFZJAGNSA-N
MW227.37 g/mol
LogP2.95
Rot. Bonds5

About (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide

(Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide (PubChem CID 129039558) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide
PubChem CID129039558
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name(Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide
SMILESCC(C)/C=C(\SC(C)C)C(=O)NC1CC1
InChIInChI=1S/C12H21NOS/c1-8(2)7-11(15-9(3)4)12(14)13-10-5-6-10/h7-10H,5-6H2,1-4H3,(H,13,14)/b11-7-
InChIKeyPXCXWTJWWFMICO-XFFZJAGNSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate
CID 145065663
(Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile
CID 90151233
N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
N-(4-bromocyclohexyl)-2-methylpropanamide
CID 114309031
N-cyclobutyl-N'-propan-2-yloxamide
CID 130668799
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate
CID 65212338
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide?
The IUPAC name of (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide (CID 129039558) is (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide.
What is the SMILES notation for (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide?
The canonical SMILES for (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide is CC(C)/C=C(\SC(C)C)C(=O)NC1CC1.
What is the InChIKey of (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide?
The InChIKey is PXCXWTJWWFMICO-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H21NOS/c1-8(2)7-11(15-9(3)4)12(14)13-10-5-6-10/h7-10H,5-6H2,1-4H3,(H,13,14)/b11-7-.
What are the key properties of (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide?
(Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide has a molecular weight of 227.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide is sourced from PubChem (CID 129039558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).