2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine

C14H27NO2S — CID 107758269

IUPAC2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(S(=O)C2CCOC2C)C1
InChIInChI=1S/C14H27NO2S/c1-9(2)11-4-5-12(15)14(8-11)18(16)13-6-7-17-10(13)3/h9-14H,4-8,15H2,1-3H3
InChIKeyDAGYISMUGKWTAR-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.06
Rot. Bonds3

About 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine

2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 107758269) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID107758269
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(S(=O)C2CCOC2C)C1
InChIInChI=1S/C14H27NO2S/c1-9(2)11-4-5-12(15)14(8-11)18(16)13-6-7-17-10(13)3/h9-14H,4-8,15H2,1-3H3
InChIKeyDAGYISMUGKWTAR-UHFFFAOYSA-N
XLogP2.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
CID 107758424
2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine
CID 64652738
7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 107758310
2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 107760465
2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64676309
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
2-[(4-chlorophenyl)methylsulfinyl]-4-propan-2-ylcyclohexan-1-amine
CID 114792237
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
2-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62740576
3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
CID 58684813
6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 107758435

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine (CID 107758269) is 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(S(=O)C2CCOC2C)C1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is DAGYISMUGKWTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-9(2)11-4-5-12(15)14(8-11)18(16)13-6-7-17-10(13)3/h9-14H,4-8,15H2,1-3H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine?
2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107758269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).