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

C12H24N2O2S — CID 55093827

IUPACN-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1CCCCC1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-14(11-6-7-17(15,16)9-11)8-10-4-2-3-5-12(10)13/h10-12H,2-9,13H2,1H3
InChIKeyWCJDOCBSFYNTCX-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds3

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

N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 55093827) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID55093827
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1CCCCC1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-14(11-6-7-17(15,16)9-11)8-10-4-2-3-5-12(10)13/h10-12H,2-9,13H2,1H3
InChIKeyWCJDOCBSFYNTCX-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
CID 62609025
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 79853273
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62615296
N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62614652
2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine
CID 62614437
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069493
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentane-1-carbonitrile
CID 82120574
N'-(1,1-dioxothiolan-3-yl)-N'-methylbut-2-ene-1,4-diamine
CID 77110448
N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 114084405
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 55093827) is N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CC1CCCCC1N)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is WCJDOCBSFYNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14(11-6-7-17(15,16)9-11)8-10-4-2-3-5-12(10)13/h10-12H,2-9,13H2,1H3.
What are the key properties of N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55093827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).