N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine

C10H17N3OS — CID 64628166

IUPACN-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine
SMILESCNC1CCOCC1Sc1cnn(C)c1
InChIInChI=1S/C10H17N3OS/c1-11-9-3-4-14-7-10(9)15-8-5-12-13(2)6-8/h5-6,9-11H,3-4,7H2,1-2H3
InChIKeyOXEPKICZSZSFGZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.89
Rot. Bonds3

About N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine

N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine (PubChem CID 64628166) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine
PubChem CID64628166
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine
SMILESCNC1CCOCC1Sc1cnn(C)c1
InChIInChI=1S/C10H17N3OS/c1-11-9-3-4-14-7-10(9)15-8-5-12-13(2)6-8/h5-6,9-11H,3-4,7H2,1-2H3
InChIKeyOXEPKICZSZSFGZ-UHFFFAOYSA-N
XLogP0.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine (CID 64628166) is N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine is CNC1CCOCC1Sc1cnn(C)c1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine?
The InChIKey is OXEPKICZSZSFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-11-9-3-4-14-7-10(9)15-8-5-12-13(2)6-8/h5-6,9-11H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine?
N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine has a molecular weight of 227.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine is sourced from PubChem (CID 64628166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).