(7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane

C16H25N3O3S2 — CID 124810098

IUPAC(7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC2(C[C@@H](OCC3CC3)CS2)C1
InChIInChI=1S/C16H25N3O3S2/c1-11-15(12(2)18(3)17-11)24(20,21)19-9-16(10-19)6-14(8-23-16)22-7-13-4-5-13/h13-14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyMQIJBGJNXRYNRX-CQSZACIVSA-N
MW371.53 g/mol
LogP1.71
Rot. Bonds5

About (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane

(7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane (PubChem CID 124810098) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane
PubChem CID124810098
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name(7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC2(C[C@@H](OCC3CC3)CS2)C1
InChIInChI=1S/C16H25N3O3S2/c1-11-15(12(2)18(3)17-11)24(20,21)19-9-16(10-19)6-14(8-23-16)22-7-13-4-5-13/h13-14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyMQIJBGJNXRYNRX-CQSZACIVSA-N
XLogP1.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane (CID 124810098) is (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane is Cc1nn(C)c(C)c1S(=O)(=O)N1CC2(C[C@@H](OCC3CC3)CS2)C1.
What is the InChIKey of (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane?
The InChIKey is MQIJBGJNXRYNRX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-11-15(12(2)18(3)17-11)24(20,21)19-9-16(10-19)6-14(8-23-16)22-7-13-4-5-13/h13-14H,4-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane?
(7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane has a molecular weight of 371.53 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124810098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).