N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine

C11H22N2S — CID 43530800

IUPACN-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine
SMILESCN(C1CCSC1)C1CCCC1CN
InChIInChI=1S/C11H22N2S/c1-13(10-5-6-14-8-10)11-4-2-3-9(11)7-12/h9-11H,2-8,12H2,1H3
InChIKeyCBQJGZUEGBIROJ-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.55
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine

N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine (PubChem CID 43530800) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine
PubChem CID43530800
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine
SMILESCN(C1CCSC1)C1CCCC1CN
InChIInChI=1S/C11H22N2S/c1-13(10-5-6-14-8-10)11-4-2-3-9(11)7-12/h9-11H,2-8,12H2,1H3
InChIKeyCBQJGZUEGBIROJ-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine (CID 43530800) is N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine is CN(C1CCSC1)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine?
The InChIKey is CBQJGZUEGBIROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-13(10-5-6-14-8-10)11-4-2-3-9(11)7-12/h9-11H,2-8,12H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine?
N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43530800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).