4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine

C11H22N2O2S — CID 63624640

IUPAC4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine
SMILESCC1CCCN(C2CS(=O)(=O)CC2N)CC1
InChIInChI=1S/C11H22N2O2S/c1-9-3-2-5-13(6-4-9)11-8-16(14,15)7-10(11)12/h9-11H,2-8,12H2,1H3
InChIKeyQEJNJOVFZYZUBG-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.23
Rot. Bonds1

About 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine

4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine (PubChem CID 63624640) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine
PubChem CID63624640
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine
SMILESCC1CCCN(C2CS(=O)(=O)CC2N)CC1
InChIInChI=1S/C11H22N2O2S/c1-9-3-2-5-13(6-4-9)11-8-16(14,15)7-10(11)12/h9-11H,2-8,12H2,1H3
InChIKeyQEJNJOVFZYZUBG-UHFFFAOYSA-N
XLogP0.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine
CID 62691466
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine
CID 55108617
1,1-dioxo-4-(1,4-thiazepan-4-yl)thiolan-3-amine
CID 62694304
1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
CID 55108616
1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
CID 62692740
1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine
CID 62048962
4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
CID 102965731
trans-(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentan-1-amine
CID 30819011
4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine
CID 62691462
2-(4-methylazepan-1-yl)cyclopentan-1-ol
CID 63622455
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 61224263

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine (CID 63624640) is 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine is CC1CCCN(C2CS(=O)(=O)CC2N)CC1.
What is the InChIKey of 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is QEJNJOVFZYZUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9-3-2-5-13(6-4-9)11-8-16(14,15)7-10(11)12/h9-11H,2-8,12H2,1H3.
What are the key properties of 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine?
4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 246.38 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63624640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).