2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C13H21N3O3S2 — CID 103365086

IUPAC2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCCS(=O)(=O)c1c(N)nsc1N1CC2CCC(O)C2C1
InChIInChI=1S/C13H21N3O3S2/c1-2-5-21(18,19)11-12(14)15-20-13(11)16-6-8-3-4-10(17)9(8)7-16/h8-10,17H,2-7H2,1H3,(H2,14,15)
InChIKeyLCKGPPQMIGOMHT-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.12
Rot. Bonds4

About 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103365086) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103365086
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCCS(=O)(=O)c1c(N)nsc1N1CC2CCC(O)C2C1
InChIInChI=1S/C13H21N3O3S2/c1-2-5-21(18,19)11-12(14)15-20-13(11)16-6-8-3-4-10(17)9(8)7-16/h8-10,17H,2-7H2,1H3,(H2,14,15)
InChIKeyLCKGPPQMIGOMHT-UHFFFAOYSA-N
XLogP1.12
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090
5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103361947
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103383978
2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103365080
4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one
CID 103363215
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365542
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol
CID 103363278

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103365086) is 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CCCS(=O)(=O)c1c(N)nsc1N1CC2CCC(O)C2C1.
What is the InChIKey of 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is LCKGPPQMIGOMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-2-5-21(18,19)11-12(14)15-20-13(11)16-6-8-3-4-10(17)9(8)7-16/h8-10,17H,2-7H2,1H3,(H2,14,15).
What are the key properties of 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 331.46 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103365086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).