N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide

C10H17N3O2S2 — CID 164631571

IUPACN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1csc([C@H](C)NS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C10H17N3O2S2/c1-8-7-16-10(11-8)9(2)12-17(14,15)13-5-3-4-6-13/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyHOZROEORIAVHMW-VIFPVBQESA-N
MW275.40 g/mol
LogP1.44
Rot. Bonds4

About N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide

N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 164631571) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID164631571
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1csc([C@H](C)NS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C10H17N3O2S2/c1-8-7-16-10(11-8)9(2)12-17(14,15)13-5-3-4-6-13/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyHOZROEORIAVHMW-VIFPVBQESA-N
XLogP1.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide (CID 164631571) is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide is Cc1csc([C@H](C)NS(=O)(=O)N2CCCC2)n1.
What is the InChIKey of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is HOZROEORIAVHMW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-8-7-16-10(11-8)9(2)12-17(14,15)13-5-3-4-6-13/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide?
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 275.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 164631571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).