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

C8H14N4O2S2 — CID 131902573

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide
SMILESNc1nc(CNS(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C8H14N4O2S2/c9-8-11-7(6-15-8)5-10-16(13,14)12-3-1-2-4-12/h6,10H,1-5H2,(H2,9,11)
InChIKeyHLPALMHELRFYJY-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.16
Rot. Bonds4

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

N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 131902573) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID131902573
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide
SMILESNc1nc(CNS(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C8H14N4O2S2/c9-8-11-7(6-15-8)5-10-16(13,14)12-3-1-2-4-12/h6,10H,1-5H2,(H2,9,11)
InChIKeyHLPALMHELRFYJY-UHFFFAOYSA-N
XLogP0.16
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide (CID 131902573) is N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide is Nc1nc(CNS(=O)(=O)N2CCCC2)cs1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is HLPALMHELRFYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c9-8-11-7(6-15-8)5-10-16(13,14)12-3-1-2-4-12/h6,10H,1-5H2,(H2,9,11).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 262.36 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131902573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).