N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine

C10H17N3OS2 — CID 64650633

IUPACN-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
SMILESCCNC1CCOCC1Sc1nnc(C)s1
InChIInChI=1S/C10H17N3OS2/c1-3-11-8-4-5-14-6-9(8)16-10-13-12-7(2)15-10/h8-9,11H,3-6H2,1-2H3
InChIKeyLGTQZPGNZTZQSQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.71
Rot. Bonds4

About N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine

N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine (PubChem CID 64650633) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
PubChem CID64650633
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC NameN-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
SMILESCCNC1CCOCC1Sc1nnc(C)s1
InChIInChI=1S/C10H17N3OS2/c1-3-11-8-4-5-14-6-9(8)16-10-13-12-7(2)15-10/h8-9,11H,3-6H2,1-2H3
InChIKeyLGTQZPGNZTZQSQ-UHFFFAOYSA-N
XLogP1.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine (CID 64650633) is N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine is CCNC1CCOCC1Sc1nnc(C)s1.
What is the InChIKey of N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine?
The InChIKey is LGTQZPGNZTZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-3-11-8-4-5-14-6-9(8)16-10-13-12-7(2)15-10/h8-9,11H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine?
N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine has a molecular weight of 259.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine is sourced from PubChem (CID 64650633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).