N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine

C14H27NO3S — CID 105014218

IUPACN-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(C1CCCC(S(C)(=O)=O)C1)C1OCCC1C
InChIInChI=1S/C14H27NO3S/c1-10-7-8-18-14(10)13(15-2)11-5-4-6-12(9-11)19(3,16)17/h10-15H,4-9H2,1-3H3
InChIKeyGWSIRRDAPGWYBP-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.60
Rot. Bonds4

About N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine

N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105014218) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105014218
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(C1CCCC(S(C)(=O)=O)C1)C1OCCC1C
InChIInChI=1S/C14H27NO3S/c1-10-7-8-18-14(10)13(15-2)11-5-4-6-12(9-11)19(3,16)17/h10-15H,4-9H2,1-3H3
InChIKeyGWSIRRDAPGWYBP-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

1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105168802
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229423
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014197
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106830383
N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105014277
2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 105014178
[cyclopentyl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105282506
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014136
[cyclohexyl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105282131
(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107190081
1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106692658

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine (CID 105014218) is N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine is CNC(C1CCCC(S(C)(=O)=O)C1)C1OCCC1C.
What is the InChIKey of N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is GWSIRRDAPGWYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-10-7-8-18-14(10)13(15-2)11-5-4-6-12(9-11)19(3,16)17/h10-15H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine?
N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine 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-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105014218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).