N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine

C14H27NO3S — CID 106496093

IUPACN,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H27NO3S/c1-10-7-11(2)14(13(8-10)15-3)19(16,17)9-12-5-4-6-18-12/h10-15H,4-9H2,1-3H3
InChIKeyFVSKRPKFNMWIIM-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.60
Rot. Bonds4

About N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine

N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine (PubChem CID 106496093) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
PubChem CID106496093
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H27NO3S/c1-10-7-11(2)14(13(8-10)15-3)19(16,17)9-12-5-4-6-18-12/h10-15H,4-9H2,1-3H3
InChIKeyFVSKRPKFNMWIIM-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753287
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide
CID 129461852
2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
CID 106513603
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
(2R)-2-ethyloxolane
CID 641529
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 79122258
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
CID 106496146
azane;2-ethyloxolane
CID 174465001
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64752735

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine?
The IUPAC name of N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine (CID 106496093) is N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine is CNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCO1.
What is the InChIKey of N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine?
The InChIKey is FVSKRPKFNMWIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-10-7-11(2)14(13(8-10)15-3)19(16,17)9-12-5-4-6-18-12/h10-15H,4-9H2,1-3H3.
What are the key properties of N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine?
N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 106496093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).