3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C10H18N4O3S2 — CID 103366052

IUPAC3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1N1CCC(C)(O)C1
InChIInChI=1S/C10H18N4O3S2/c1-10(15)4-5-14(6-10)9-7(8(11)12-18-9)19(16,17)13(2)3/h15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyWGNMELKRZIOTEG-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.06
Rot. Bonds3

About 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103366052) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103366052
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1N1CCC(C)(O)C1
InChIInChI=1S/C10H18N4O3S2/c1-10(15)4-5-14(6-10)9-7(8(11)12-18-9)19(16,17)13(2)3/h15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyWGNMELKRZIOTEG-UHFFFAOYSA-N
XLogP-0.06
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361819
3-amino-5-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103365498
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol
CID 103366053
3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360651
3-amino-4-ethylsulfonyl-5-(3-hydroxy-3-methylpyrrolidin-1-yl)thiophene-2-carbonitrile
CID 103417287
1-[3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103417342
3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103383454
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 131115596
1-(5-aminopyrazin-2-yl)-3-methylpyrrolidin-3-ol
CID 103358812

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103366052) is 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1N1CCC(C)(O)C1.
What is the InChIKey of 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is WGNMELKRZIOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-10(15)4-5-14(6-10)9-7(8(11)12-18-9)19(16,17)13(2)3/h15H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103366052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).