[(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate

C8H10ClN3O5S — CID 146570626

IUPAC[(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate
SMILESNC(=O)OC[C@H]1COc2c(S(=O)(=O)Cl)cnn2C1
InChIInChI=1S/C8H10ClN3O5S/c9-18(14,15)6-1-11-12-2-5(3-16-7(6)12)4-17-8(10)13/h1,5H,2-4H2,(H2,10,13)/t5-/m1/s1
InChIKeySRRIDOACJTVRTP-RXMQYKEDSA-N
MW295.70 g/mol
LogP-0.09
Rot. Bonds3

About [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate

[(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate (PubChem CID 146570626) has the molecular formula C8H10ClN3O5S and a molecular weight of 295.70 g/mol. Its IUPAC name is [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate.

Molecular Properties

Compound Name[(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate
PubChem CID146570626
Molecular FormulaC8H10ClN3O5S
Molecular Weight295.70 g/mol
Exact Mass295.00
IUPAC Name[(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate
SMILESNC(=O)OC[C@H]1COc2c(S(=O)(=O)Cl)cnn2C1
InChIInChI=1S/C8H10ClN3O5S/c9-18(14,15)6-1-11-12-2-5(3-16-7(6)12)4-17-8(10)13/h1,5H,2-4H2,(H2,10,13)/t5-/m1/s1
InChIKeySRRIDOACJTVRTP-RXMQYKEDSA-N
XLogP-0.09
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate?
The IUPAC name of [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate (CID 146570626) is [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate.
What is the SMILES notation for [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate?
The canonical SMILES for [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate is NC(=O)OC[C@H]1COc2c(S(=O)(=O)Cl)cnn2C1.
What is the InChIKey of [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate?
The InChIKey is SRRIDOACJTVRTP-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClN3O5S/c9-18(14,15)6-1-11-12-2-5(3-16-7(6)12)4-17-8(10)13/h1,5H,2-4H2,(H2,10,13)/t5-/m1/s1.
What are the key properties of [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate?
[(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate has a molecular weight of 295.70 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-3-chlorosulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl carbamate is sourced from PubChem (CID 146570626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).