2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol

C12H19N3O3S2 — CID 103349887

IUPAC2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
SMILESNc1nsc(N2CCC(CCO)C2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O3S2/c13-11-10(20(17,18)9-1-2-9)12(19-14-11)15-5-3-8(7-15)4-6-16/h8-9,16H,1-7H2,(H2,13,14)
InChIKeySSLASXMKRLOGBK-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.87
Rot. Bonds5

About 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol

2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol (PubChem CID 103349887) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
PubChem CID103349887
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
SMILESNc1nsc(N2CCC(CCO)C2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O3S2/c13-11-10(20(17,18)9-1-2-9)12(19-14-11)15-5-3-8(7-15)4-6-16/h8-9,16H,1-7H2,(H2,13,14)
InChIKeySSLASXMKRLOGBK-UHFFFAOYSA-N
XLogP0.87
TPSA96.52 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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol (CID 103349887) is 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol is Nc1nsc(N2CCC(CCO)C2)c1S(=O)(=O)C1CC1.
What is the InChIKey of 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is SSLASXMKRLOGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c13-11-10(20(17,18)9-1-2-9)12(19-14-11)15-5-3-8(7-15)4-6-16/h8-9,16H,1-7H2,(H2,13,14).
What are the key properties of 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 317.44 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103349887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).