N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide

C13H20N2O3S — CID 97335641

IUPACN-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C13H20N2O3S/c1-15(8-7-14-19(2,17)18)12-9-10-5-3-4-6-11(10)13(12)16/h3-6,12-14,16H,7-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyABBHSUDUOVVLNB-OLZOCXBDSA-N
MW284.38 g/mol
LogP0.13
Rot. Bonds5

About N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide

N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide (PubChem CID 97335641) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide
PubChem CID97335641
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C13H20N2O3S/c1-15(8-7-14-19(2,17)18)12-9-10-5-3-4-6-11(10)13(12)16/h3-6,12-14,16H,7-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyABBHSUDUOVVLNB-OLZOCXBDSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide with MolForge

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Related Compounds

(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol
CID 131856725
2-[amino(methyl)amino]-2,3-dihydro-1H-inden-1-ol;butanedioic acid;sulfane
CID 158628530
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
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
CID 47175434
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
(1S,2R)-2-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-2,3-dihydro-1H-inden-1-ol
CID 97335621
(1R,2R)-2-[amino(methyl)amino]-2,3-dihydro-1H-inden-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 158123957
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 51092812
(1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 167906825
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylsulfonylpropanamide
CID 114983105

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide (CID 97335641) is N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)[C@@H]1Cc2ccccc2[C@@H]1O.
What is the InChIKey of N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide?
The InChIKey is ABBHSUDUOVVLNB-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-15(8-7-14-19(2,17)18)12-9-10-5-3-4-6-11(10)13(12)16/h3-6,12-14,16H,7-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide?
N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 97335641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).