N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide

C15H28N2O2S — CID 119611650

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESNCC1CCCCC1NC(=O)CSCC1CCCCO1
InChIInChI=1S/C15H28N2O2S/c16-9-12-5-1-2-7-14(12)17-15(18)11-20-10-13-6-3-4-8-19-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyZQLJQJUAIQPPNM-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.92
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide (PubChem CID 119611650) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
PubChem CID119611650
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESNCC1CCCCC1NC(=O)CSCC1CCCCO1
InChIInChI=1S/C15H28N2O2S/c16-9-12-5-1-2-7-14(12)17-15(18)11-20-10-13-6-3-4-8-19-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyZQLJQJUAIQPPNM-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260999
N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119407916
2-(oxan-2-ylmethylsulfanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453049
N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 119609391
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 120599932
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821
N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide
CID 119605197
N-[(1R,2R)-2-aminocyclohexyl]-2-(oxan-2-yl)acetamide
CID 113265414
N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 103799843
N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 106367229
1-[2-(aminomethyl)piperidin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119468814

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide (CID 119611650) is N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide is NCC1CCCCC1NC(=O)CSCC1CCCCO1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide?
The InChIKey is ZQLJQJUAIQPPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c16-9-12-5-1-2-7-14(12)17-15(18)11-20-10-13-6-3-4-8-19-13/h12-14H,1-11,16H2,(H,17,18).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide has a molecular weight of 300.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 119611650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).