N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine

C11H22N2S — CID 79842264

IUPACN-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine
SMILESCN(CCC1(N)CCC1)C1CCSC1
InChIInChI=1S/C11H22N2S/c1-13(10-3-8-14-9-10)7-6-11(12)4-2-5-11/h10H,2-9,12H2,1H3
InChIKeyMOULKRVORLBNOT-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.70
Rot. Bonds4

About N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine

N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine (PubChem CID 79842264) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine
PubChem CID79842264
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine
SMILESCN(CCC1(N)CCC1)C1CCSC1
InChIInChI=1S/C11H22N2S/c1-13(10-3-8-14-9-10)7-6-11(12)4-2-5-11/h10H,2-9,12H2,1H3
InChIKeyMOULKRVORLBNOT-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine (CID 79842264) is N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine is CN(CCC1(N)CCC1)C1CCSC1.
What is the InChIKey of N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine?
The InChIKey is MOULKRVORLBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-13(10-3-8-14-9-10)7-6-11(12)4-2-5-11/h10H,2-9,12H2,1H3.
What are the key properties of N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine?
N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 79842264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).