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

C15H29NO2S — CID 107758424

IUPACN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1S(=O)C1CCOC1C
InChIInChI=1S/C15H29NO2S/c1-10(2)12-5-6-13(16-4)15(9-12)19(17)14-7-8-18-11(14)3/h10-16H,5-9H2,1-4H3
InChIKeyKYMXVLKTNJSYLG-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.33
Rot. Bonds4

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

N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 107758424) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID107758424
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1S(=O)C1CCOC1C
InChIInChI=1S/C15H29NO2S/c1-10(2)12-5-6-13(16-4)15(9-12)19(17)14-7-8-18-11(14)3/h10-16H,5-9H2,1-4H3
InChIKeyKYMXVLKTNJSYLG-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
CID 107758269
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496336
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64652319
7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 107758310
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine
CID 97358167
2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 107758756
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine (CID 107758424) is N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1S(=O)C1CCOC1C.
What is the InChIKey of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is KYMXVLKTNJSYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-10(2)12-5-6-13(16-4)15(9-12)19(17)14-7-8-18-11(14)3/h10-16H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine?
N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107758424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).