2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine

C16H23NOS — CID 64657410

IUPAC2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
SMILESCC1CCCC(S(=O)C2Cc3ccccc3C2N)C1
InChIInChI=1S/C16H23NOS/c1-11-5-4-7-13(9-11)19(18)15-10-12-6-2-3-8-14(12)16(15)17/h2-3,6,8,11,13,15-16H,4-5,7,9-10,17H2,1H3
InChIKeyWTQONDPBJQCMLG-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.94
Rot. Bonds2

About 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine

2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64657410) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64657410
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
SMILESCC1CCCC(S(=O)C2Cc3ccccc3C2N)C1
InChIInChI=1S/C16H23NOS/c1-11-5-4-7-13(9-11)19(18)15-10-12-6-2-3-8-14(12)16(15)17/h2-3,6,8,11,13,15-16H,4-5,7,9-10,17H2,1H3
InChIKeyWTQONDPBJQCMLG-UHFFFAOYSA-N
XLogP2.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine (CID 64657410) is 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine is CC1CCCC(S(=O)C2Cc3ccccc3C2N)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WTQONDPBJQCMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-11-5-4-7-13(9-11)19(18)15-10-12-6-2-3-8-14(12)16(15)17/h2-3,6,8,11,13,15-16H,4-5,7,9-10,17H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.43 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64657410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).