N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine

C14H27NO3S — CID 106513646

IUPACN-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
SMILESO=S(=O)(CCNCC1CCCCC1)CC1CCCO1
InChIInChI=1S/C14H27NO3S/c16-19(17,12-14-7-4-9-18-14)10-8-15-11-13-5-2-1-3-6-13/h13-15H,1-12H2
InChIKeyXWKVKQINYRYEQA-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.75
Rot. Bonds7

About N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine

N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine (PubChem CID 106513646) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
PubChem CID106513646
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
SMILESO=S(=O)(CCNCC1CCCCC1)CC1CCCO1
InChIInChI=1S/C14H27NO3S/c16-19(17,12-14-7-4-9-18-14)10-8-15-11-13-5-2-1-3-6-13/h13-15H,1-12H2
InChIKeyXWKVKQINYRYEQA-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]propan-1-amine
CID 106513636
2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine
CID 106513585
2-(oxan-2-ylmethylsulfonyl)ethanol
CID 71857024
2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
CID 106513603
N-(2-methoxyethyl)-4-(oxolan-2-ylmethylsulfonyl)butan-1-amine
CID 106513565
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
4-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106513579
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine (CID 106513646) is N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine is O=S(=O)(CCNCC1CCCCC1)CC1CCCO1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine?
The InChIKey is XWKVKQINYRYEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c16-19(17,12-14-7-4-9-18-14)10-8-15-11-13-5-2-1-3-6-13/h13-15H,1-12H2.
What are the key properties of N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine?
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine is sourced from PubChem (CID 106513646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).