N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide

C10H16N4O3S — CID 104710290

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C10H16N4O3S/c1-14-7(2-4-12-14)18(15,16)13-9-8(11)6-3-5-17-10(6)9/h2,4,6,8-10,13H,3,5,11H2,1H3
InChIKeyLRMJKOMDWITAFR-UHFFFAOYSA-N
MW272.33 g/mol
LogP-1.19
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104710290) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide
PubChem CID104710290
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C10H16N4O3S/c1-14-7(2-4-12-14)18(15,16)13-9-8(11)6-3-5-17-10(6)9/h2,4,6,8-10,13H,3,5,11H2,1H3
InChIKeyLRMJKOMDWITAFR-UHFFFAOYSA-N
XLogP-1.19
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-hydroxycyclobutyl)propyl]-1-propyl-1H-pyrazole-5-sulfonamide
CID 91760524
1-ethyl-N-[rac-2-oxabicyclo[3.2.0]hept-6-yl]-1H-pyrazole-4-sulfonamide
CID 91767285
N-[rac-(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-yl]-1,4-dimethyl-1H-pyrazole-5-sulfonamide
CID 133267963
N-[(1S,5S,6R,7S)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-ethylpyrazole-4-sulfonamide
CID 164631786
2-[2-(5,5-Dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide
CID 139416442
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylpyrazole-4-sulfonamide
CID 66196345
N-[rac-7-(dimethylamino)-2-oxabicyclo[3.2.0]hept-6-yl]-1-ethyl-1H-pyrazole-4-sulfonamide
CID 91763340
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,4-dimethylpyrazole-5-sulfonamide
CID 91765015
N-[rac-7-(dimethylamino)-2-oxabicyclo[3.2.0]hept-6-yl]-1-ethyl-1H-pyrazole-5-sulfonamide
CID 91765517
1-ethyl-N-[1-(trans-3-hydroxycyclobutyl)propyl]-1H-pyrazole-5-sulfonamide
CID 91769203
N-[rac-(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-yl]-1,4-dimethyl-1H-pyrazole-5-sulfonamide
CID 91778047
N-[rac-(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]hept-7-yl]-1-propyl-1H-pyrazole-4-sulfonamide
CID 91778099

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide (CID 104710290) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NC1C(N)C2CCOC21.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is LRMJKOMDWITAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-14-7(2-4-12-14)18(15,16)13-9-8(11)6-3-5-17-10(6)9/h2,4,6,8-10,13H,3,5,11H2,1H3.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).