N-ethyl-N-methylthian-3-amine

C8H17NS — CID 90987800

IUPACN-ethyl-N-methylthian-3-amine
SMILESCCN(C)C1CCCSC1
InChIInChI=1S/C8H17NS/c1-3-9(2)8-5-4-6-10-7-8/h8H,3-7H2,1-2H3
InChIKeyDGICWXWJKBDGLL-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds2

About N-ethyl-N-methylthian-3-amine

N-ethyl-N-methylthian-3-amine (PubChem CID 90987800) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-ethyl-N-methylthian-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methylthian-3-amine
PubChem CID90987800
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-ethyl-N-methylthian-3-amine
SMILESCCN(C)C1CCCSC1
InChIInChI=1S/C8H17NS/c1-3-9(2)8-5-4-6-10-7-8/h8H,3-7H2,1-2H3
InChIKeyDGICWXWJKBDGLL-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylthian-3-amine?
The IUPAC name of N-ethyl-N-methylthian-3-amine (CID 90987800) is N-ethyl-N-methylthian-3-amine.
What is the SMILES notation for N-ethyl-N-methylthian-3-amine?
The canonical SMILES for N-ethyl-N-methylthian-3-amine is CCN(C)C1CCCSC1.
What is the InChIKey of N-ethyl-N-methylthian-3-amine?
The InChIKey is DGICWXWJKBDGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-9(2)8-5-4-6-10-7-8/h8H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-methylthian-3-amine?
N-ethyl-N-methylthian-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylthian-3-amine is sourced from PubChem (CID 90987800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).