N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide

C15H21NOS — CID 107022432

IUPACN-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide
SMILESCCCN(C(=O)C(S)Cc1ccccc1)C1CC1
InChIInChI=1S/C15H21NOS/c1-2-10-16(13-8-9-13)15(17)14(18)11-12-6-4-3-5-7-12/h3-7,13-14,18H,2,8-11H2,1H3
InChIKeyXVQYWTKVKMKPQR-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.93
Rot. Bonds6

About N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide

N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide (PubChem CID 107022432) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide
PubChem CID107022432
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide
SMILESCCCN(C(=O)C(S)Cc1ccccc1)C1CC1
InChIInChI=1S/C15H21NOS/c1-2-10-16(13-8-9-13)15(17)14(18)11-12-6-4-3-5-7-12/h3-7,13-14,18H,2,8-11H2,1H3
InChIKeyXVQYWTKVKMKPQR-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.93
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-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
CID 107020965
N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107036755
3-phenyl-N,N-dipropyl-2-sulfanylpropanamide
CID 107019704
N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107023150
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431
N-benzyl-2-bromo-N-cyclopropylbutanamide
CID 62856125
N-methyl-N-(oxan-4-ylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107030011
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
CID 61164393
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78985362
butyl 3-phenyl-2-sulfanylpropanoate
CID 107018160
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide (CID 107022432) is N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide is CCCN(C(=O)C(S)Cc1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide?
The InChIKey is XVQYWTKVKMKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-10-16(13-8-9-13)15(17)14(18)11-12-6-4-3-5-7-12/h3-7,13-14,18H,2,8-11H2,1H3.
What are the key properties of N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide?
N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide has a molecular weight of 263.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide is sourced from PubChem (CID 107022432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).