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

C10H17N3O3S2 — CID 110133078

IUPACN-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cs1
InChIInChI=1S/C10H17N3O3S2/c1-7-11-8(6-17-7)3-13-4-9(10(14)5-13)12-18(2,15)16/h6,9-10,12,14H,3-5H2,1-2H3/t9-,10-/m1/s1
InChIKeyONLQQDBPTIQAAM-NXEZZACHSA-N
MW291.40 g/mol
LogP-0.45
Rot. Bonds4

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

N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 110133078) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID110133078
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC NameN-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cs1
InChIInChI=1S/C10H17N3O3S2/c1-7-11-8(6-17-7)3-13-4-9(10(14)5-13)12-18(2,15)16/h6,9-10,12,14H,3-5H2,1-2H3/t9-,10-/m1/s1
InChIKeyONLQQDBPTIQAAM-NXEZZACHSA-N
XLogP-0.45
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133087
(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide
CID 97326138
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 118762726
(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124805279
N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 155800148
2-amino-N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidine-4-carboxamide
CID 164639029
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide
CID 118786159
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 118790063
4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride
CID 120661028

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (CID 110133078) is N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is Cc1nc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cs1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is ONLQQDBPTIQAAM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-7-11-8(6-17-7)3-13-4-9(10(14)5-13)12-18(2,15)16/h6,9-10,12,14H,3-5H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 291.40 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 110133078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).