4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine

C12H24N2O2S — CID 79121119

IUPAC4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-14(11-4-2-10(13)3-5-11)12-6-8-17(15,16)9-7-12/h10-12H,2-9,13H2,1H3
InChIKeyOSKLBDGJGXJJHQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.77
Rot. Bonds2

About 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121119) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121119
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-14(11-4-2-10(13)3-5-11)12-6-8-17(15,16)9-7-12/h10-12H,2-9,13H2,1H3
InChIKeyOSKLBDGJGXJJHQ-UHFFFAOYSA-N
XLogP0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine
CID 66187291
1-(1,1-dioxothian-4-yl)-1-methylhydrazine
CID 145167794
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 141217448
4-N-(4-ethylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine
CID 79114027
4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
CID 175142686
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686
2-[(1,1-dioxothian-4-yl)-methylamino]ethanimidamide
CID 164654850
4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine
CID 79120784

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine (CID 79121119) is 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine is CN(C1CCC(N)CC1)C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is OSKLBDGJGXJJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14(11-4-2-10(13)3-5-11)12-6-8-17(15,16)9-7-12/h10-12H,2-9,13H2,1H3.
What are the key properties of 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 260.40 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).