1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine

C10H18N2S2 — CID 132941924

IUPAC1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(CN(C)C)SC=CS1
InChIInChI=1S/C10H18N2S2/c1-11(2)7-9-10(8-12(3)4)14-6-5-13-9/h5-6H,7-8H2,1-4H3
InChIKeyHVDBXEGYTZNWDM-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine

1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine (PubChem CID 132941924) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine
PubChem CID132941924
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(CN(C)C)SC=CS1
InChIInChI=1S/C10H18N2S2/c1-11(2)7-9-10(8-12(3)4)14-6-5-13-9/h5-6H,7-8H2,1-4H3
InChIKeyHVDBXEGYTZNWDM-UHFFFAOYSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine (CID 132941924) is 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1=C(CN(C)C)SC=CS1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is HVDBXEGYTZNWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-11(2)7-9-10(8-12(3)4)14-6-5-13-9/h5-6H,7-8H2,1-4H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine?
1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 230.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 132941924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).