N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide

C12H21N3O2S2 — CID 70716961

IUPACN-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(Cc2nccs2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C12H21N3O2S2/c1-3-4-10-7-15(9-12-13-5-6-18-12)8-11(10)14-19(2,16)17/h5-6,10-11,14H,3-4,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyXWQMXPNLPOYUAF-GHMZBOCLSA-N
MW303.45 g/mol
LogP1.29
Rot. Bonds6

About N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 70716961) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID70716961
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(Cc2nccs2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C12H21N3O2S2/c1-3-4-10-7-15(9-12-13-5-6-18-12)8-11(10)14-19(2,16)17/h5-6,10-11,14H,3-4,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyXWQMXPNLPOYUAF-GHMZBOCLSA-N
XLogP1.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 3233242
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CID 97372628
2-[[(4aR,7aR)-6-methylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]methyl]-1,3-thiazole
CID 97377274
2-[(1-Methylsulfonyl-1,7-diazaspiro[4.4]nonan-7-yl)methyl]-1,3-thiazole
CID 118742895
N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 71859869
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 97064545
N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-sulfonamide
CID 125528863
1-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 131894415
2-[[(2S,4S)-4-fluoro-2-[[methyl(sulfamoyl)amino]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 121526585
1-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylmethanesulfonamide
CID 121537727
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcyclopropanesulfonamide
CID 122140061
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide
CID 72153134

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (CID 70716961) is N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(Cc2nccs2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XWQMXPNLPOYUAF-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-4-10-7-15(9-12-13-5-6-18-12)8-11(10)14-19(2,16)17/h5-6,10-11,14H,3-4,7-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70716961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).