3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine

C15H29NO2S — CID 107428106

IUPAC3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)CC1CCCC(NC2(C)CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H29NO2S/c1-12(2)9-13-5-4-6-14(10-13)16-15(3)7-8-19(17,18)11-15/h12-14,16H,4-11H2,1-3H3
InChIKeyMJINOMDIHVJKNG-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.76
Rot. Bonds4

About 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine

3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine (PubChem CID 107428106) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine
PubChem CID107428106
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)CC1CCCC(NC2(C)CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H29NO2S/c1-12(2)9-13-5-4-6-14(10-13)16-15(3)7-8-19(17,18)11-15/h12-14,16H,4-11H2,1-3H3
InChIKeyMJINOMDIHVJKNG-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679751
4-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1,4-diamine
CID 79724714
N-(3-methyl-1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65081523
1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 43679758
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine
CID 65294947
3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine
CID 79941618
N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 64762994
1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone
CID 43780093
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
N-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428492
1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine
CID 107428120

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine (CID 107428106) is 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine is CC(C)CC1CCCC(NC2(C)CCS(=O)(=O)C2)C1.
What is the InChIKey of 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine?
The InChIKey is MJINOMDIHVJKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-12(2)9-13-5-4-6-14(10-13)16-15(3)7-8-19(17,18)11-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine?
3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine has a molecular weight of 287.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 107428106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).