N-methyl-N-prop-2-enyl-3-sulfanylbenzamide

C11H13NOS — CID 107033477

IUPACN-methyl-N-prop-2-enyl-3-sulfanylbenzamide
SMILESC=CCN(C)C(=O)c1cccc(S)c1
InChIInChI=1S/C11H13NOS/c1-3-7-12(2)11(13)9-5-4-6-10(14)8-9/h3-6,8,14H,1,7H2,2H3
InChIKeyCZCZWCOQPZIRLE-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-N-prop-2-enyl-3-sulfanylbenzamide

N-methyl-N-prop-2-enyl-3-sulfanylbenzamide (PubChem CID 107033477) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyl-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyl-3-sulfanylbenzamide
PubChem CID107033477
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC NameN-methyl-N-prop-2-enyl-3-sulfanylbenzamide
SMILESC=CCN(C)C(=O)c1cccc(S)c1
InChIInChI=1S/C11H13NOS/c1-3-7-12(2)11(13)9-5-4-6-10(14)8-9/h3-6,8,14H,1,7H2,2H3
InChIKeyCZCZWCOQPZIRLE-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.23
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

3-ethoxy-N-methyl-N-prop-2-enylbenzamide
CID 123374812
N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide
CID 107033475
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107022686
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
N-(3-hydroxybutyl)-N-methyl-3-sulfanylbenzamide
CID 107035726
3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
CID 104956229
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
CID 107032638
N-(1-hydroxypropan-2-yl)-N-methyl-3-sulfanylbenzamide
CID 107034867
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enyl-3-sulfanylbenzamide?
The IUPAC name of N-methyl-N-prop-2-enyl-3-sulfanylbenzamide (CID 107033477) is N-methyl-N-prop-2-enyl-3-sulfanylbenzamide.
What is the SMILES notation for N-methyl-N-prop-2-enyl-3-sulfanylbenzamide?
The canonical SMILES for N-methyl-N-prop-2-enyl-3-sulfanylbenzamide is C=CCN(C)C(=O)c1cccc(S)c1.
What is the InChIKey of N-methyl-N-prop-2-enyl-3-sulfanylbenzamide?
The InChIKey is CZCZWCOQPZIRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-3-7-12(2)11(13)9-5-4-6-10(14)8-9/h3-6,8,14H,1,7H2,2H3.
What are the key properties of N-methyl-N-prop-2-enyl-3-sulfanylbenzamide?
N-methyl-N-prop-2-enyl-3-sulfanylbenzamide has a molecular weight of 207.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyl-3-sulfanylbenzamide is sourced from PubChem (CID 107033477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).