N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide

C14H19NOS — CID 107024680

IUPACN-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cccc(S)c1
InChIInChI=1S/C14H19NOS/c1-2-8-15(10-11-6-7-11)14(16)12-4-3-5-13(17)9-12/h3-5,9,11,17H,2,6-8,10H2,1H3
InChIKeyPWHJJPDILKLHIX-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.24
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide

N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide (PubChem CID 107024680) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
PubChem CID107024680
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cccc(S)c1
InChIInChI=1S/C14H19NOS/c1-2-8-15(10-11-6-7-11)14(16)12-4-3-5-13(17)9-12/h3-5,9,11,17H,2,6-8,10H2,1H3
InChIKeyPWHJJPDILKLHIX-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.24
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-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide
CID 56884216
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
N-cyclopropyl-N-ethyl-3-sulfanylbenzamide
CID 107022345
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide
CID 118795062
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
3-chloro-N,N-dipropylbenzamide
CID 669182
N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide
CID 104916648

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide (CID 107024680) is N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide is CCCN(CC1CC1)C(=O)c1cccc(S)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide?
The InChIKey is PWHJJPDILKLHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-8-15(10-11-6-7-11)14(16)12-4-3-5-13(17)9-12/h3-5,9,11,17H,2,6-8,10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide?
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide has a molecular weight of 249.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide is sourced from PubChem (CID 107024680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).