N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine

C14H27NO3S — CID 106513640

IUPACN-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
SMILESO=S(=O)(CCNC1CCCCCC1)CC1CCCO1
InChIInChI=1S/C14H27NO3S/c16-19(17,12-14-8-5-10-18-14)11-9-15-13-6-3-1-2-4-7-13/h13-15H,1-12H2
InChIKeyAEEGLIQEIIUFGM-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine

N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine (PubChem CID 106513640) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
PubChem CID106513640
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
SMILESO=S(=O)(CCNC1CCCCCC1)CC1CCCO1
InChIInChI=1S/C14H27NO3S/c16-19(17,12-14-8-5-10-18-14)11-9-15-13-6-3-1-2-4-7-13/h13-15H,1-12H2
InChIKeyAEEGLIQEIIUFGM-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
CID 106513603
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106513646
2-(oxan-2-ylmethylsulfonyl)ethanol
CID 71857024
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
4-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106513579
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]propan-1-amine
CID 106513636
2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine
CID 106513585
N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
CID 106512958
2-(cyclooctylamino)ethanesulfonate
CID 153294230
N-(2-methoxyethyl)-4-(oxolan-2-ylmethylsulfonyl)butan-1-amine
CID 106513565
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine (CID 106513640) is N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine is O=S(=O)(CCNC1CCCCCC1)CC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine?
The InChIKey is AEEGLIQEIIUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c16-19(17,12-14-8-5-10-18-14)11-9-15-13-6-3-1-2-4-7-13/h13-15H,1-12H2.
What are the key properties of N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine?
N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine has a molecular weight of 289.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine is sourced from PubChem (CID 106513640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).