N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide

C12H17NO3S — CID 65315150

IUPACN-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC(CO)CO
InChIInChI=1S/C12H17NO3S/c14-8-10(9-15)13-12(16)6-7-17-11-4-2-1-3-5-11/h1-5,10,14-15H,6-9H2,(H,13,16)
InChIKeyKGBCFNRDYYHUKL-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.64
Rot. Bonds7

About N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide

N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide (PubChem CID 65315150) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
PubChem CID65315150
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC(CO)CO
InChIInChI=1S/C12H17NO3S/c14-8-10(9-15)13-12(16)6-7-17-11-4-2-1-3-5-11/h1-5,10,14-15H,6-9H2,(H,13,16)
InChIKeyKGBCFNRDYYHUKL-UHFFFAOYSA-N
XLogP0.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
methyl 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)propanoate
CID 43405741
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 86918327
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
3-hydroxy-2-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43238728
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377
(2R)-4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid
CID 78975535
3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 110935609

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide (CID 65315150) is N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide?
The InChIKey is KGBCFNRDYYHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-8-10(9-15)13-12(16)6-7-17-11-4-2-1-3-5-11/h1-5,10,14-15H,6-9H2,(H,13,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide?
N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide has a molecular weight of 255.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 65315150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).