N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine

C12H24N2O2S — CID 81168346

IUPACN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCC1(CN)CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-14(11-3-8-17(15,16)9-11)7-6-12(10-13)4-2-5-12/h11H,2-10,13H2,1H3
InChIKeyOMIBPZIPOKGQML-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds5

About N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 81168346) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID81168346
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCC1(CN)CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-14(11-3-8-17(15,16)9-11)7-6-12(10-13)4-2-5-12/h11H,2-10,13H2,1H3
InChIKeyOMIBPZIPOKGQML-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine
CID 81169270
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine
CID 81168855
N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080824
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 62256687
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648675
N'-(1,1-dioxothiolan-3-yl)-N'-methylbut-2-ene-1,4-diamine
CID 77110448
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentane-1-carbonitrile
CID 82120574
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 79853273
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069493
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648656

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 81168346) is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CCC1(CN)CCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is OMIBPZIPOKGQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14(11-3-8-17(15,16)9-11)7-6-12(10-13)4-2-5-12/h11H,2-10,13H2,1H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 81168346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).