2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine

C17H25NOS — CID 64652400

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(S(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H25NOS/c1-17(2)9-8-15(18)16(11-17)20(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15-16H,3-5,8-9,11,18H2,1-2H3
InChIKeyKSMPDBUHDRGWCQ-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.19
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine

2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 64652400) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID64652400
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(S(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H25NOS/c1-17(2)9-8-15(18)16(11-17)20(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15-16H,3-5,8-9,11,18H2,1-2H3
InChIKeyKSMPDBUHDRGWCQ-UHFFFAOYSA-N
XLogP3.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-2-methylcyclopentan-1-amine
CID 64905529
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)cyclopentan-1-amine
CID 64723256
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclopentan-1-amine
CID 64653023
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 64651573
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)cycloheptane-1-carbonitrile
CID 64691096
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
CID 64717359
5-bromo-7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]indene
CID 115483281
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-2-methylbutanoate
CID 79414090
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862911
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole
CID 143248312

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine (CID 64652400) is 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(N)C(S(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is KSMPDBUHDRGWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-17(2)9-8-15(18)16(11-17)20(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15-16H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64652400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).