N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide

C12H21N3O2S2 — CID 91829289

IUPACN,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCCC1c1nccs1
InChIInChI=1S/C12H21N3O2S2/c1-14(2)19(16,17)10-4-8-15-7-3-5-11(15)12-13-6-9-18-12/h6,9,11H,3-5,7-8,10H2,1-2H3
InChIKeyQWZZRENVCIBTDJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.56
Rot. Bonds6

About N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide

N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide (PubChem CID 91829289) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
PubChem CID91829289
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCCC1c1nccs1
InChIInChI=1S/C12H21N3O2S2/c1-14(2)19(16,17)10-4-8-15-7-3-5-11(15)12-13-6-9-18-12/h6,9,11H,3-5,7-8,10H2,1-2H3
InChIKeyQWZZRENVCIBTDJ-UHFFFAOYSA-N
XLogP1.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-Methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
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-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986830
N-[2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114792
N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 75433714
N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide
CID 84589515
N,N-Dimethyl-3-[2-(1,3-thiazol-2-YL)piperidin-1-YL]propane-1-sulfonamide
CID 91838272
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 97064545
N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azepane-1-sulfonamide
CID 124595114
N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 124595122
N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-sulfonamide
CID 125528863

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide (CID 91829289) is N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCCC1c1nccs1.
What is the InChIKey of N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide?
The InChIKey is QWZZRENVCIBTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-14(2)19(16,17)10-4-8-15-7-3-5-11(15)12-13-6-9-18-12/h6,9,11H,3-5,7-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide?
N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 91829289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).