2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine

C14H27NO3S — CID 106513603

IUPAC2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCCC1NCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H27NO3S/c1-12-5-2-3-7-14(12)15-8-10-19(16,17)11-13-6-4-9-18-13/h12-15H,2-11H2,1H3
InChIKeyZDPPFSQPAGIXPB-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.75
Rot. Bonds6

About 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine

2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine (PubChem CID 106513603) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
PubChem CID106513603
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCCC1NCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H27NO3S/c1-12-5-2-3-7-14(12)15-8-10-19(16,17)11-13-6-4-9-18-13/h12-15H,2-11H2,1H3
InChIKeyZDPPFSQPAGIXPB-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclohexan-1-amine
CID 43182518
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106513646
2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106723715
N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62554913
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
2-(oxan-2-ylmethylsulfonyl)ethanol
CID 71857024
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]propan-1-amine
CID 106513636
4-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106513579
2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine
CID 106513585
N-(2-methoxyethyl)-4-(oxolan-2-ylmethylsulfonyl)butan-1-amine
CID 106513565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine (CID 106513603) is 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine is CC1CCCCC1NCCS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine?
The InChIKey is ZDPPFSQPAGIXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-12-5-2-3-7-14(12)15-8-10-19(16,17)11-13-6-4-9-18-13/h12-15H,2-11H2,1H3.
What are the key properties of 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine?
2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106513603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).