N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide

C12H21N3O2S2 — CID 95210718

IUPACN-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCc1nc(C)c(CN2CC[C@@H](CNS(C)(=O)=O)C2)s1
InChIInChI=1S/C12H21N3O2S2/c1-9-12(18-10(2)14-9)8-15-5-4-11(7-15)6-13-19(3,16)17/h11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyRFHUBFWZGDEGOW-NSHDSACASA-N
MW303.45 g/mol
LogP1.13
Rot. Bonds5

About N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 95210718) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID95210718
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCc1nc(C)c(CN2CC[C@@H](CNS(C)(=O)=O)C2)s1
InChIInChI=1S/C12H21N3O2S2/c1-9-12(18-10(2)14-9)8-15-5-4-11(7-15)6-13-19(3,16)17/h11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyRFHUBFWZGDEGOW-NSHDSACASA-N
XLogP1.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154829593
(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
N-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95209422
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide
CID 154582450
5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 131939365
5-[(4-cyclobutylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 155980200
N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95205463
N-[[(3S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide
CID 95218854
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol
CID 162798872
(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
CID 120966565
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-(4-methylsulfonylphenoxy)-1,4-oxazepane
CID 162806068
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97067026

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (CID 95210718) is N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is Cc1nc(C)c(CN2CC[C@@H](CNS(C)(=O)=O)C2)s1.
What is the InChIKey of N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is RFHUBFWZGDEGOW-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-9-12(18-10(2)14-9)8-15-5-4-11(7-15)6-13-19(3,16)17/h11,13H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95210718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).