[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C9H14N4O3S2 — CID 138810944

IUPAC[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nsnc1C(=O)N1CCC(CS(N)(=O)=O)C1
InChIInChI=1S/C9H14N4O3S2/c1-6-8(12-17-11-6)9(14)13-3-2-7(4-13)5-18(10,15)16/h7H,2-5H2,1H3,(H2,10,15,16)
InChIKeyGNLAEAMWMNTXFW-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.40
Rot. Bonds3

About [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 138810944) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID138810944
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC Name[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nsnc1C(=O)N1CCC(CS(N)(=O)=O)C1
InChIInChI=1S/C9H14N4O3S2/c1-6-8(12-17-11-6)9(14)13-3-2-7(4-13)5-18(10,15)16/h7H,2-5H2,1H3,(H2,10,15,16)
InChIKeyGNLAEAMWMNTXFW-UHFFFAOYSA-N
XLogP-0.40
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 146039511
[4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 137338018
[(3S)-1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125168841
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
[(3S)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125161180
[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 118760689
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118767416
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
[1-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137340590
3-methoxy-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 126427180
[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119059682

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 138810944) is [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is Cc1nsnc1C(=O)N1CCC(CS(N)(=O)=O)C1.
What is the InChIKey of [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is GNLAEAMWMNTXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c1-6-8(12-17-11-6)9(14)13-3-2-7(4-13)5-18(10,15)16/h7H,2-5H2,1H3,(H2,10,15,16).
What are the key properties of [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 290.37 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 138810944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).