1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide

C8H13N3O4S2 — CID 61284724

IUPAC1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C8H13N3O4S2/c12-16(13)4-2-8(6-16)17(14,15)10-5-7-1-3-9-11-7/h1,3,8,10H,2,4-6H2,(H,9,11)
InChIKeyZCFIWJNNJASURS-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.98
Rot. Bonds4

About 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide

1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide (PubChem CID 61284724) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide
PubChem CID61284724
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Name1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C8H13N3O4S2/c12-16(13)4-2-8(6-16)17(14,15)10-5-7-1-3-9-11-7/h1,3,8,10H,2,4-6H2,(H,9,11)
InChIKeyZCFIWJNNJASURS-UHFFFAOYSA-N
XLogP-0.98
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
CID 62540052
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692339
N-[[4-(chloromethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 107234052
N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 64913898
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
CID 107651745
N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide
CID 95390779
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
N-[(4-aminophenyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 62085292
6-fluoro-1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61285878
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003745

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide (CID 61284724) is 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCc2ccn[nH]2)C1.
What is the InChIKey of 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide?
The InChIKey is ZCFIWJNNJASURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c12-16(13)4-2-8(6-16)17(14,15)10-5-7-1-3-9-11-7/h1,3,8,10H,2,4-6H2,(H,9,11).
What are the key properties of 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide?
1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide has a molecular weight of 279.34 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide is sourced from PubChem (CID 61284724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).