N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide

C15H21NO2S2 — CID 97414638

IUPACN-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide
SMILESCO[C@@]1(CNC(=O)CCSc2ccccc2)CCSC1
InChIInChI=1S/C15H21NO2S2/c1-18-15(8-10-19-12-15)11-16-14(17)7-9-20-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,17)/t15-/m1/s1
InChIKeyUYZONXAPLHEZSP-OAHLLOKOSA-N
MW311.47 g/mol
LogP2.81
Rot. Bonds7

About N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide

N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide (PubChem CID 97414638) has the molecular formula C15H21NO2S2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide
PubChem CID97414638
Molecular FormulaC15H21NO2S2
Molecular Weight311.47 g/mol
Exact Mass311.10
IUPAC NameN-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide
SMILESCO[C@@]1(CNC(=O)CCSc2ccccc2)CCSC1
InChIInChI=1S/C15H21NO2S2/c1-18-15(8-10-19-12-15)11-16-14(17)7-9-20-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,17)/t15-/m1/s1
InChIKeyUYZONXAPLHEZSP-OAHLLOKOSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
N-(3-ethoxypropyl)-2-(phenylthio)acetamide
CID 2180085
3-(phenylthio)-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2951053
1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide
CID 24816512
Acetamide, N-tetrahydrofurfuryl-2-phenylthio-
CID 532040
3-(4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)propanamide
CID 51072682
2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787191
N-(3-methoxypropyl)-2-(phenylsulfanyl)acetamide
CID 2271004
N-(2-cyclopropyl-2-hydroxypropyl)-3-(phenylthio)propanamide
CID 52992759
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-3-(phenylsulfonyl)propanamide
CID 71787324
N-((3-methoxytetrahydrothiophen-3-yl)methyl)-2-(thiophen-2-yl)acetamide
CID 71804821
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]3-(phenylthio)propionamide
CID 95984351

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide (CID 97414638) is N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide is CO[C@@]1(CNC(=O)CCSc2ccccc2)CCSC1.
What is the InChIKey of N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide?
The InChIKey is UYZONXAPLHEZSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO2S2/c1-18-15(8-10-19-12-15)11-16-14(17)7-9-20-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,17)/t15-/m1/s1.
What are the key properties of N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide?
N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide has a molecular weight of 311.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 97414638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).