4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine

C12H19N3O3S2 — CID 103348841

IUPAC4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCCOC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O3S2/c13-11-10(20(16,17)9-3-4-9)12(19-15-11)14-6-8-2-1-5-18-7-8/h8-9,14H,1-7H2,(H2,13,15)
InChIKeyYFZNLIIKOGDYMW-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.50
Rot. Bonds5

About 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103348841) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103348841
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCCOC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O3S2/c13-11-10(20(16,17)9-3-4-9)12(19-15-11)14-6-8-2-1-5-18-7-8/h8-9,14H,1-7H2,(H2,13,15)
InChIKeyYFZNLIIKOGDYMW-UHFFFAOYSA-N
XLogP1.50
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103348841) is 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCC2CCCOC2)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is YFZNLIIKOGDYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c13-11-10(20(16,17)9-3-4-9)12(19-15-11)14-6-8-2-1-5-18-7-8/h8-9,14H,1-7H2,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 317.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).