N,N,2-trimethyl-1,3-dithian-5-amine

C7H15NS2 — CID 15710270

IUPACN,N,2-trimethyl-1,3-dithian-5-amine
SMILESCC1SCC(N(C)C)CS1
InChIInChI=1S/C7H15NS2/c1-6-9-4-7(5-10-6)8(2)3/h6-7H,4-5H2,1-3H3
InChIKeyLXSGDMAPCMBGQR-UHFFFAOYSA-N
MW177.34 g/mol
LogP1.74
Rot. Bonds1

About N,N,2-trimethyl-1,3-dithian-5-amine

N,N,2-trimethyl-1,3-dithian-5-amine (PubChem CID 15710270) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is N,N,2-trimethyl-1,3-dithian-5-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1,3-dithian-5-amine
PubChem CID15710270
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC NameN,N,2-trimethyl-1,3-dithian-5-amine
SMILESCC1SCC(N(C)C)CS1
InChIInChI=1S/C7H15NS2/c1-6-9-4-7(5-10-6)8(2)3/h6-7H,4-5H2,1-3H3
InChIKeyLXSGDMAPCMBGQR-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1,3-dithian-5-amine?
The IUPAC name of N,N,2-trimethyl-1,3-dithian-5-amine (CID 15710270) is N,N,2-trimethyl-1,3-dithian-5-amine.
What is the SMILES notation for N,N,2-trimethyl-1,3-dithian-5-amine?
The canonical SMILES for N,N,2-trimethyl-1,3-dithian-5-amine is CC1SCC(N(C)C)CS1.
What is the InChIKey of N,N,2-trimethyl-1,3-dithian-5-amine?
The InChIKey is LXSGDMAPCMBGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-6-9-4-7(5-10-6)8(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N,2-trimethyl-1,3-dithian-5-amine?
N,N,2-trimethyl-1,3-dithian-5-amine has a molecular weight of 177.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1,3-dithian-5-amine is sourced from PubChem (CID 15710270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).