3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine

C14H28N2O2S — CID 63162872

IUPAC3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCC1CCC(N(C)C2(CN)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-12-4-6-13(7-5-12)16(2)14(10-15)8-9-19(17,18)11-14/h12-13H,3-11,15H2,1-2H3
InChIKeyVQKNRBFMLVWYGH-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.40
Rot. Bonds4

About 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine

3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 63162872) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID63162872
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCC1CCC(N(C)C2(CN)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-12-4-6-13(7-5-12)16(2)14(10-15)8-9-19(17,18)11-14/h12-13H,3-11,15H2,1-2H3
InChIKeyVQKNRBFMLVWYGH-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
CID 82734241
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648656
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1,1-dioxothiolan-3-amine
CID 63956770
3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162457
N-[1-(aminomethyl)-3-ethylcyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64501186
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
CID 63471584
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
CID 63162741
3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
CID 63163042
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-3-ethylcyclopentan-1-ol
CID 113290101
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63471586

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 63162872) is 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine is CCC1CCC(N(C)C2(CN)CCS(=O)(=O)C2)CC1.
What is the InChIKey of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is VQKNRBFMLVWYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-12-4-6-13(7-5-12)16(2)14(10-15)8-9-19(17,18)11-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine?
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 288.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63162872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).