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

C14H28N2O2S — CID 79853273

IUPACN-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1CCCC(C)(C)C1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O2S/c1-14(2)7-4-5-11(13(14)15)9-16(3)12-6-8-19(17,18)10-12/h11-13H,4-10,15H2,1-3H3
InChIKeyVLVHTDOQEJXTLG-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.26
Rot. Bonds3

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

N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 79853273) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID79853273
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1CCCC(C)(C)C1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O2S/c1-14(2)7-4-5-11(13(14)15)9-16(3)12-6-8-19(17,18)10-12/h11-13H,4-10,15H2,1-3H3
InChIKeyVLVHTDOQEJXTLG-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
2,2-dimethyl-6-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79852665
N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 114084405
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
CID 62609025
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
CID 79866857
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 79866338
6-[[cyclobutylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849427
2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide
CID 82763912
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 81168346
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentane-1-carbonitrile
CID 82120574

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 79853273) is N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CC1CCCC(C)(C)C1N)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is VLVHTDOQEJXTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-14(2)7-4-5-11(13(14)15)9-16(3)12-6-8-19(17,18)10-12/h11-13H,4-10,15H2,1-3H3.
What are the key properties of N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 288.46 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 79853273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).