N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C11H19NOS — CID 107035698

IUPACN-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESC=C(C)CN(C)C(=O)CC1(CS)CC1
InChIInChI=1S/C11H19NOS/c1-9(2)7-12(3)10(13)6-11(8-14)4-5-11/h14H,1,4-8H2,2-3H3
InChIKeyVFWCFMWPRSZIGO-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.12
Rot. Bonds5

About N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107035698) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107035698
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESC=C(C)CN(C)C(=O)CC1(CS)CC1
InChIInChI=1S/C11H19NOS/c1-9(2)7-12(3)10(13)6-11(8-14)4-5-11/h14H,1,4-8H2,2-3H3
InChIKeyVFWCFMWPRSZIGO-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107024477
N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107023188
N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107024453
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035183
1-methyl-1-(2-methylprop-2-enyl)urea
CID 115964716
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107024871
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
(2R,5S)-5-[methyl(2-methylprop-2-enyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945722
N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107026383
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029044
1,3-dimethyl-1-(2-methylprop-2-enyl)urea
CID 115964722

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107035698) is N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is C=C(C)CN(C)C(=O)CC1(CS)CC1.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is VFWCFMWPRSZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-9(2)7-12(3)10(13)6-11(8-14)4-5-11/h14H,1,4-8H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 213.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107035698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).