2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C11H18N4O2S2 — CID 63947223

IUPAC2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H18N4O2S2/c1-7-10(18-11(12)13-7)19(16,17)14-8-4-6-15-5-2-3-9(8)15/h8-9,14H,2-6H2,1H3,(H2,12,13)
InChIKeyTYYYYVMWNVMQKL-UHFFFAOYSA-N
MW302.43 g/mol
LogP0.55
Rot. Bonds3

About 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63947223) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63947223
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H18N4O2S2/c1-7-10(18-11(12)13-7)19(16,17)14-8-4-6-15-5-2-3-9(8)15/h8-9,14H,2-6H2,1H3,(H2,12,13)
InChIKeyTYYYYVMWNVMQKL-UHFFFAOYSA-N
XLogP0.55
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 63945785
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide
CID 63945601
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107855913
2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 79878440
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 63903096
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
CID 114958264
2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63946600
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
CID 62158279
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide
CID 61051569
3-amino-2-bromo-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62956544
2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 63946414

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 63947223) is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is TYYYYVMWNVMQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-7-10(18-11(12)13-7)19(16,17)14-8-4-6-15-5-2-3-9(8)15/h8-9,14H,2-6H2,1H3,(H2,12,13).
What are the key properties of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 302.43 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63947223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).