N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide

C16H21NOS — CID 86918327

IUPACN-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC(C1CC1)C1CC1
InChIInChI=1S/C16H21NOS/c18-15(10-11-19-14-4-2-1-3-5-14)17-16(12-6-7-12)13-8-9-13/h1-5,12-13,16H,6-11H2,(H,17,18)
InChIKeyZGGICHHBQPCECW-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.47
Rot. Bonds7

About N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide

N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide (PubChem CID 86918327) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide
PubChem CID86918327
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC(C1CC1)C1CC1
InChIInChI=1S/C16H21NOS/c18-15(10-11-19-14-4-2-1-3-5-14)17-16(12-6-7-12)13-8-9-13/h1-5,12-13,16H,6-11H2,(H,17,18)
InChIKeyZGGICHHBQPCECW-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55525250
2-(benzhydrylamino)-N-(dicyclopropylmethyl)acetamide
CID 29458643
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
3-hydroxy-2-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43238728
N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide
CID 29469612
(2R)-4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid
CID 78975535
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide (CID 86918327) is N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide?
The InChIKey is ZGGICHHBQPCECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-15(10-11-19-14-4-2-1-3-5-14)17-16(12-6-7-12)13-8-9-13/h1-5,12-13,16H,6-11H2,(H,17,18).
What are the key properties of N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide?
N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide has a molecular weight of 275.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86918327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).