4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine

C11H22N2O2S — CID 62806024

IUPAC4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S/c1-13(10-4-2-9(12)3-5-10)11-6-7-16(14,15)8-11/h9-11H,2-8,12H2,1H3
InChIKeyNMEYNRWWEALWNW-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.38
Rot. Bonds2

About 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 62806024) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID62806024
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S/c1-13(10-4-2-9(12)3-5-10)11-6-7-16(14,15)8-11/h9-11H,2-8,12H2,1H3
InChIKeyNMEYNRWWEALWNW-UHFFFAOYSA-N
XLogP0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79121119
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine
CID 66187291
N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine
CID 81459205
2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one
CID 43797735
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
1-(1,1-dioxothian-4-yl)-1-methylhydrazine
CID 145167794
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
1-(1,1-dioxothiolan-3-yl)-2-hydroxy-1-methylguanidine
CID 62481876

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine (CID 62806024) is 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine is CN(C1CCC(N)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is NMEYNRWWEALWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-13(10-4-2-9(12)3-5-10)11-6-7-16(14,15)8-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 246.38 g/mol, XLogP of 0.38, 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-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 62806024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).