4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine

C13H22N4O2S2 — CID 103381800

IUPAC4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C13H22N4O2S2/c1-21(18,19)11-12(14)15-20-13(11)17-8-5-10(9-17)16-6-3-2-4-7-16/h10H,2-9H2,1H3,(H2,14,15)
InChIKeyGGWIFSCGOAQRFT-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.19
Rot. Bonds3

About 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine

4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103381800) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103381800
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C13H22N4O2S2/c1-21(18,19)11-12(14)15-20-13(11)17-8-5-10(9-17)16-6-3-2-4-7-16/h10H,2-9H2,1H3,(H2,14,15)
InChIKeyGGWIFSCGOAQRFT-UHFFFAOYSA-N
XLogP1.19
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 103384147
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381799
5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362856
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382034
4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
CID 103381681
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382138
4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
CID 103382080
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine (CID 103381800) is 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine is CS(=O)(=O)c1c(N)nsc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is GGWIFSCGOAQRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-21(18,19)11-12(14)15-20-13(11)17-8-5-10(9-17)16-6-3-2-4-7-16/h10H,2-9H2,1H3,(H2,14,15).
What are the key properties of 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 330.48 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103381800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).