(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide

C12H19N3O2S2 — CID 97326138

IUPAC(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCc1nc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cs1
InChIInChI=1S/C12H19N3O2S2/c1-9-13-11(8-18-9)6-15-5-4-12(7-15)19(16,17)14-10-2-3-10/h8,10,12,14H,2-7H2,1H3/t12-/m0/s1
InChIKeyCCIDCDYIAOXGAA-LBPRGKRZSA-N
MW301.44 g/mol
LogP1.11
Rot. Bonds5

About (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide

(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 97326138) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide
PubChem CID97326138
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCc1nc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cs1
InChIInChI=1S/C12H19N3O2S2/c1-9-13-11(8-18-9)6-15-5-4-12(7-15)19(16,17)14-10-2-3-10/h8,10,12,14H,2-7H2,1H3/t12-/m0/s1
InChIKeyCCIDCDYIAOXGAA-LBPRGKRZSA-N
XLogP1.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 155800148
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154829673
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133078
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 54976348
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
[3-(methylamino)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119489323

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide (CID 97326138) is (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide is Cc1nc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cs1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is CCIDCDYIAOXGAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-9-13-11(8-18-9)6-15-5-4-12(7-15)19(16,17)14-10-2-3-10/h8,10,12,14H,2-7H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide?
(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 301.44 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 97326138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).