N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide

C15H21NOS — CID 107023150

IUPACN-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide
SMILESCC(C1CC1)N(C)C(=O)C(S)Cc1ccccc1
InChIInChI=1S/C15H21NOS/c1-11(13-8-9-13)16(2)15(17)14(18)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3
InChIKeyROMHKJCEEAJQQL-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.78
Rot. Bonds5

About N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide

N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide (PubChem CID 107023150) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide
PubChem CID107023150
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide
SMILESCC(C1CC1)N(C)C(=O)C(S)Cc1ccccc1
InChIInChI=1S/C15H21NOS/c1-11(13-8-9-13)16(2)15(17)14(18)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3
InChIKeyROMHKJCEEAJQQL-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.78
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

(2R)-2-amino-N-(1-cyclopropylethyl)-N-methyl-3-phenylpropanamide
CID 78985501
N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide
CID 107022432
N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
CID 107020965
N-methyl-N-(oxan-4-ylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107030011
3-phenyl-N,N-dipropyl-2-sulfanylpropanamide
CID 107019704
phenyl N-(1-cyclopropylethyl)-N-methylcarbamate
CID 60724808
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107026032
N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107036755
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
N-[(4-bromophenyl)methyl]-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107024282
3-phenyl-2-sulfanylpropanethioic S-acid
CID 87523491

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide (CID 107023150) is N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide is CC(C1CC1)N(C)C(=O)C(S)Cc1ccccc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide?
The InChIKey is ROMHKJCEEAJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(13-8-9-13)16(2)15(17)14(18)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide?
N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide has a molecular weight of 263.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107023150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).