N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide

C12H15NOS — CID 107033475

IUPACN,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide
SMILESC=CCN(C)C(=O)c1cc(S)ccc1C
InChIInChI=1S/C12H15NOS/c1-4-7-13(3)12(14)11-8-10(15)6-5-9(11)2/h4-6,8,15H,1,7H2,2-3H3
InChIKeyDVGVBDAYJBOMDW-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.54
Rot. Bonds3

About N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide

N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide (PubChem CID 107033475) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide
PubChem CID107033475
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide
SMILESC=CCN(C)C(=O)c1cc(S)ccc1C
InChIInChI=1S/C12H15NOS/c1-4-7-13(3)12(14)11-8-10(15)6-5-9(11)2/h4-6,8,15H,1,7H2,2-3H3
InChIKeyDVGVBDAYJBOMDW-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.54
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-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107023651
N-(2-hydroxypropyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028262
N,N,2-trimethyl-5-sulfanylbenzamide
CID 107021651
N-methyl-N-prop-2-enyl-3-sulfanylbenzamide
CID 107033477
N-butan-2-yl-N,2-dimethyl-5-sulfanylbenzamide
CID 107022481
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide
CID 107026861
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
CID 107029072

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide?
The IUPAC name of N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide (CID 107033475) is N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide.
What is the SMILES notation for N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide?
The canonical SMILES for N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide is C=CCN(C)C(=O)c1cc(S)ccc1C.
What is the InChIKey of N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide?
The InChIKey is DVGVBDAYJBOMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-4-7-13(3)12(14)11-8-10(15)6-5-9(11)2/h4-6,8,15H,1,7H2,2-3H3.
What are the key properties of N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide?
N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide has a molecular weight of 221.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide is sourced from PubChem (CID 107033475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).