N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide

C15H20N2O2S — CID 107222130

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H20N2O2S/c18-13-7-10-3-1-2-4-12(10)15(13)17-14(19)8-11-9-20-6-5-16-11/h1-4,11,13,15-16,18H,5-9H2,(H,17,19)/t11?,13-,15+/m0/s1
InChIKeyBKYPLTFASQNHFY-RDNFXGMISA-N
MW292.40 g/mol
LogP0.86
Rot. Bonds3

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 107222130) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID107222130
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H20N2O2S/c18-13-7-10-3-1-2-4-12(10)15(13)17-14(19)8-11-9-20-6-5-16-11/h1-4,11,13,15-16,18H,5-9H2,(H,17,19)/t11?,13-,15+/m0/s1
InChIKeyBKYPLTFASQNHFY-RDNFXGMISA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935471
2-cyclobutyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111696386
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119939513
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939512
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide
CID 119940333
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide (CID 107222130) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is BKYPLTFASQNHFY-RDNFXGMISA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-13-7-10-3-1-2-4-12(10)15(13)17-14(19)8-11-9-20-6-5-16-11/h1-4,11,13,15-16,18H,5-9H2,(H,17,19)/t11?,13-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 292.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 107222130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).