(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol

C14H21NO3S — CID 154807752

IUPAC(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(CN[C@H]1c2ccccc2CC[C@H]1O)S(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-10(19(2,17)18)9-15-14-12-6-4-3-5-11(12)7-8-13(14)16/h3-6,10,13-16H,7-9H2,1-2H3/t10?,13-,14+/m1/s1
InChIKeyHYAVYNGXDSHZHN-ADSMYIAOSA-N
MW283.39 g/mol
LogP1.06
Rot. Bonds4

About (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol

(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 154807752) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID154807752
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(CN[C@H]1c2ccccc2CC[C@H]1O)S(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-10(19(2,17)18)9-15-14-12-6-4-3-5-11(12)7-8-13(14)16/h3-6,10,13-16H,7-9H2,1-2H3/t10?,13-,14+/m1/s1
InChIKeyHYAVYNGXDSHZHN-ADSMYIAOSA-N
XLogP1.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 13110177
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-methyl-2-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64676003
N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646813
3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
CID 66136675
(2S)-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoropropane-1-sulfonic acid
CID 58691893
(2S)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoropropane-1-sulfonic acid
CID 58691843
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;hydrate
CID 140668931
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759610

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 154807752) is (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol is CC(CN[C@H]1c2ccccc2CC[C@H]1O)S(C)(=O)=O.
What is the InChIKey of (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is HYAVYNGXDSHZHN-ADSMYIAOSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(19(2,17)18)9-15-14-12-6-4-3-5-11(12)7-8-13(14)16/h3-6,10,13-16H,7-9H2,1-2H3/t10?,13-,14+/m1/s1.
What are the key properties of (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol?
(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 283.39 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 154807752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).