N-cyclopropyl-N-propyl-2-sulfanylbenzamide

C13H17NOS — CID 107022431

IUPACN-cyclopropyl-N-propyl-2-sulfanylbenzamide
SMILESCCCN(C(=O)c1ccccc1S)C1CC1
InChIInChI=1S/C13H17NOS/c1-2-9-14(10-7-8-10)13(15)11-5-3-4-6-12(11)16/h3-6,10,16H,2,7-9H2,1H3
InChIKeyQAVUOCTYDOCGPF-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.99
Rot. Bonds4

About N-cyclopropyl-N-propyl-2-sulfanylbenzamide

N-cyclopropyl-N-propyl-2-sulfanylbenzamide (PubChem CID 107022431) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclopropyl-N-propyl-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-propyl-2-sulfanylbenzamide
PubChem CID107022431
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-cyclopropyl-N-propyl-2-sulfanylbenzamide
SMILESCCCN(C(=O)c1ccccc1S)C1CC1
InChIInChI=1S/C13H17NOS/c1-2-9-14(10-7-8-10)13(15)11-5-3-4-6-12(11)16/h3-6,10,16H,2,7-9H2,1H3
InChIKeyQAVUOCTYDOCGPF-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.99
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

N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
CID 78771506
N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
CID 81265864
N-butyl-N-cyclopropyl-2-(propylamino)benzamide
CID 62179116
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-propyl-2-sulfanylbenzamide?
The IUPAC name of N-cyclopropyl-N-propyl-2-sulfanylbenzamide (CID 107022431) is N-cyclopropyl-N-propyl-2-sulfanylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-propyl-2-sulfanylbenzamide?
The canonical SMILES for N-cyclopropyl-N-propyl-2-sulfanylbenzamide is CCCN(C(=O)c1ccccc1S)C1CC1.
What is the InChIKey of N-cyclopropyl-N-propyl-2-sulfanylbenzamide?
The InChIKey is QAVUOCTYDOCGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-2-9-14(10-7-8-10)13(15)11-5-3-4-6-12(11)16/h3-6,10,16H,2,7-9H2,1H3.
What are the key properties of N-cyclopropyl-N-propyl-2-sulfanylbenzamide?
N-cyclopropyl-N-propyl-2-sulfanylbenzamide has a molecular weight of 235.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-propyl-2-sulfanylbenzamide is sourced from PubChem (CID 107022431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).