N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine

C17H25NOS — CID 124736682

IUPACN-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC[S@](=O)[C@H]1CCCC[C@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C17H25NOS/c1-2-20(19)17-10-6-5-9-16(17)18-15-11-13-7-3-4-8-14(13)12-15/h3-4,7-8,15-18H,2,5-6,9-12H2,1H3/t16-,17+,20+/m1/s1
InChIKeyPBUJFFYRTVJLAV-UWVAXJGDSA-N
MW291.46 g/mol
LogP2.82
Rot. Bonds4

About N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine

N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 124736682) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID124736682
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC[S@](=O)[C@H]1CCCC[C@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C17H25NOS/c1-2-20(19)17-10-6-5-9-16(17)18-15-11-13-7-3-4-8-14(13)12-15/h3-4,7-8,15-18H,2,5-6,9-12H2,1H3/t16-,17+,20+/m1/s1
InChIKeyPBUJFFYRTVJLAV-UWVAXJGDSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine (CID 124736682) is N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine is CC[S@](=O)[C@H]1CCCC[C@H]1NC1Cc2ccccc2C1.
What is the InChIKey of N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PBUJFFYRTVJLAV-UWVAXJGDSA-N. The full InChI is InChI=1S/C17H25NOS/c1-2-20(19)17-10-6-5-9-16(17)18-15-11-13-7-3-4-8-14(13)12-15/h3-4,7-8,15-18H,2,5-6,9-12H2,1H3/t16-,17+,20+/m1/s1.
What are the key properties of N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 291.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 124736682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).