N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide

C10H13NO2S — CID 131111215

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
SMILESCS(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C10H13NO2S/c1-14(13)11-10-8-5-3-2-4-7(8)6-9(10)12/h2-5,9-12H,6H2,1H3
InChIKeySMJVXKNQRKHPAL-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.53
Rot. Bonds2

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide (PubChem CID 131111215) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
PubChem CID131111215
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
SMILESCS(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C10H13NO2S/c1-14(13)11-10-8-5-3-2-4-7(8)6-9(10)12/h2-5,9-12H,6H2,1H3
InChIKeySMJVXKNQRKHPAL-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide (CID 131111215) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide is CS(=O)NC1c2ccccc2CC1O.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide?
The InChIKey is SMJVXKNQRKHPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14(13)11-10-8-5-3-2-4-7(8)6-9(10)12/h2-5,9-12H,6H2,1H3.
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide has a molecular weight of 211.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide is sourced from PubChem (CID 131111215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).