[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol

C6H11NOS — CID 11217329

IUPAC[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol
SMILESCSC1=N[C@H](CO)CC1
InChIInChI=1S/C6H11NOS/c1-9-6-3-2-5(4-8)7-6/h5,8H,2-4H2,1H3/t5-/m0/s1
InChIKeyZIHULPVBTYDBDG-YFKPBYRVSA-N
MW145.23 g/mol
LogP0.90
Rot. Bonds1

About [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol

[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol (PubChem CID 11217329) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol
PubChem CID11217329
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol
SMILESCSC1=N[C@H](CO)CC1
InChIInChI=1S/C6H11NOS/c1-9-6-3-2-5(4-8)7-6/h5,8H,2-4H2,1H3/t5-/m0/s1
InChIKeyZIHULPVBTYDBDG-YFKPBYRVSA-N
XLogP0.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole
CID 21041401
2-(iodomethyl)-7-methylsulfanyl-3,4,5,6-tetrahydro-2H-azepine
CID 67851466
[(2R)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]methanol;hydrochloride
CID 22872569
2-(methoxymethyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine;trifluoromethanesulfonic acid
CID 171924939
5-methylsulfanyl-2-phenyl-3,4-dihydro-2H-pyrrole
CID 86171847
6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
CID 167495379
2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine
CID 23383064
(4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol
CID 83383698
2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid
CID 155173329
4-ethylsulfanyl-2,3-dihydroazete
CID 19911804
(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol
CID 59086011
3-methylsulfanyl-4,5-dihydro-1H-pyrazole
CID 123430212

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol?
The IUPAC name of [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol (CID 11217329) is [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol.
What is the SMILES notation for [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol?
The canonical SMILES for [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol is CSC1=N[C@H](CO)CC1.
What is the InChIKey of [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol?
The InChIKey is ZIHULPVBTYDBDG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NOS/c1-9-6-3-2-5(4-8)7-6/h5,8H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol?
[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol has a molecular weight of 145.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol is sourced from PubChem (CID 11217329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).