N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine

C11H22N2O2S — CID 43648673

IUPACN-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(C1CCS(=O)(=O)C1)C1(CN)CCCC1
InChIInChI=1S/C11H22N2O2S/c1-13(10-4-7-16(14,15)8-10)11(9-12)5-2-3-6-11/h10H,2-9,12H2,1H3
InChIKeyNAKWRVUMYLYVNG-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.38
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43648673) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID43648673
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(C1CCS(=O)(=O)C1)C1(CN)CCCC1
InChIInChI=1S/C11H22N2O2S/c1-13(10-4-7-16(14,15)8-10)11(9-12)5-2-3-6-11/h10H,2-9,12H2,1H3
InChIKeyNAKWRVUMYLYVNG-UHFFFAOYSA-N
XLogP0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 43648673) is N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(C1CCS(=O)(=O)C1)C1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is NAKWRVUMYLYVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-13(10-4-7-16(14,15)8-10)11(9-12)5-2-3-6-11/h10H,2-9,12H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 246.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43648673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).