3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine

C11H23NS — CID 166647314

IUPAC3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCC1CSC(CCCN(C)C)C1C
InChIInChI=1S/C11H23NS/c1-9-8-13-11(10(9)2)6-5-7-12(3)4/h9-11H,5-8H2,1-4H3
InChIKeyBPAMOCSRALTVMF-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.72
Rot. Bonds4

About 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine

3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 166647314) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID166647314
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCC1CSC(CCCN(C)C)C1C
InChIInChI=1S/C11H23NS/c1-9-8-13-11(10(9)2)6-5-7-12(3)4/h9-11H,5-8H2,1-4H3
InChIKeyBPAMOCSRALTVMF-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine (CID 166647314) is 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine is CC1CSC(CCCN(C)C)C1C.
What is the InChIKey of 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is BPAMOCSRALTVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9-8-13-11(10(9)2)6-5-7-12(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine?
3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 166647314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).