(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine

C13H18N2O2S — CID 115301718

IUPAC(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C13H18N2O2S/c14-12-6-7-15(9-12)18(16,17)13-5-4-10-2-1-3-11(10)8-13/h4-5,8,12H,1-3,6-7,9,14H2/t12-/m1/s1
InChIKeyCZKFRAPADLDVPK-GFCCVEGCSA-N
MW266.37 g/mol
LogP0.90
Rot. Bonds2

About (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine

(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine (PubChem CID 115301718) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
PubChem CID115301718
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C13H18N2O2S/c14-12-6-7-15(9-12)18(16,17)13-5-4-10-2-1-3-11(10)8-13/h4-5,8,12H,1-3,6-7,9,14H2/t12-/m1/s1
InChIKeyCZKFRAPADLDVPK-GFCCVEGCSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 114801907
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
[(3R)-3-aminopyrrolidin-1-yl]-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanone;hydrochloride
CID 119411394
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine (CID 115301718) is (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine?
The InChIKey is CZKFRAPADLDVPK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-12-6-7-15(9-12)18(16,17)13-5-4-10-2-1-3-11(10)8-13/h4-5,8,12H,1-3,6-7,9,14H2/t12-/m1/s1.
What are the key properties of (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine?
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine has a molecular weight of 266.37 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 115301718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).