3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol

C12H21N3O3S2 — CID 103363278

IUPAC3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCCCS(=O)(=O)c1c(N)nsc1N(C)CC1CC(O)C1
InChIInChI=1S/C12H21N3O3S2/c1-3-4-20(17,18)10-11(13)14-19-12(10)15(2)7-8-5-9(16)6-8/h8-9,16H,3-7H2,1-2H3,(H2,13,14)
InChIKeyBPJNLKRLUDFLRJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.12
Rot. Bonds6

About 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 103363278) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID103363278
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCCCS(=O)(=O)c1c(N)nsc1N(C)CC1CC(O)C1
InChIInChI=1S/C12H21N3O3S2/c1-3-4-20(17,18)10-11(13)14-19-12(10)15(2)7-8-5-9(16)6-8/h8-9,16H,3-7H2,1-2H3,(H2,13,14)
InChIKeyBPJNLKRLUDFLRJ-UHFFFAOYSA-N
XLogP1.12
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol (CID 103363278) is 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol is CCCS(=O)(=O)c1c(N)nsc1N(C)CC1CC(O)C1.
What is the InChIKey of 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is BPJNLKRLUDFLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-3-4-20(17,18)10-11(13)14-19-12(10)15(2)7-8-5-9(16)6-8/h8-9,16H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 103363278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).