N-cyclopropyl-N-ethyl-3-sulfanylbenzamide

C12H15NOS — CID 107022345

IUPACN-cyclopropyl-N-ethyl-3-sulfanylbenzamide
SMILESCCN(C(=O)c1cccc(S)c1)C1CC1
InChIInChI=1S/C12H15NOS/c1-2-13(10-6-7-10)12(14)9-4-3-5-11(15)8-9/h3-5,8,10,15H,2,6-7H2,1H3
InChIKeyWSYGGFOYVAJVHB-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.60
Rot. Bonds3

About N-cyclopropyl-N-ethyl-3-sulfanylbenzamide

N-cyclopropyl-N-ethyl-3-sulfanylbenzamide (PubChem CID 107022345) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-3-sulfanylbenzamide
PubChem CID107022345
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC NameN-cyclopropyl-N-ethyl-3-sulfanylbenzamide
SMILESCCN(C(=O)c1cccc(S)c1)C1CC1
InChIInChI=1S/C12H15NOS/c1-2-13(10-6-7-10)12(14)9-4-3-5-11(15)8-9/h3-5,8,10,15H,2,6-7H2,1H3
InChIKeyWSYGGFOYVAJVHB-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
CID 66181460
N-(4,4-dimethylcyclohexyl)-N-methyl-3-sulfanylbenzamide
CID 107032511
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
[3-(diethylamino)pyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107029365
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372790
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1-hydroxypropan-2-yl)-N-methyl-3-sulfanylbenzamide
CID 107034867

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-3-sulfanylbenzamide?
The IUPAC name of N-cyclopropyl-N-ethyl-3-sulfanylbenzamide (CID 107022345) is N-cyclopropyl-N-ethyl-3-sulfanylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-3-sulfanylbenzamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-3-sulfanylbenzamide is CCN(C(=O)c1cccc(S)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-3-sulfanylbenzamide?
The InChIKey is WSYGGFOYVAJVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-13(10-6-7-10)12(14)9-4-3-5-11(15)8-9/h3-5,8,10,15H,2,6-7H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-3-sulfanylbenzamide?
N-cyclopropyl-N-ethyl-3-sulfanylbenzamide has a molecular weight of 221.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-3-sulfanylbenzamide is sourced from PubChem (CID 107022345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).