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

C11H17N3O3S2 — CID 103348855

IUPAC4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCOC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H17N3O3S2/c12-10-9(19(15,16)8-1-2-8)11(18-14-10)13-5-7-3-4-17-6-7/h7-8,13H,1-6H2,(H2,12,14)
InChIKeyBTYUHDANZQRBKD-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.11
Rot. Bonds5

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

4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103348855) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103348855
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCOC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H17N3O3S2/c12-10-9(19(15,16)8-1-2-8)11(18-14-10)13-5-7-3-4-17-6-7/h7-8,13H,1-6H2,(H2,12,14)
InChIKeyBTYUHDANZQRBKD-UHFFFAOYSA-N
XLogP1.11
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.11
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-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103348855) is 4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCC2CCOC2)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BTYUHDANZQRBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c12-10-9(19(15,16)8-1-2-8)11(18-14-10)13-5-7-3-4-17-6-7/h7-8,13H,1-6H2,(H2,12,14).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 303.41 g/mol, XLogP of 1.11, 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-(oxolan-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).