[(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone

C14H23N3O5S2 — CID 70732444

IUPAC[(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)N2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C14H23N3O5S2/c18-14(11-3-4-11)16-7-8-17(13-10-23(19,20)9-12(13)16)24(21,22)15-5-1-2-6-15/h11-13H,1-10H2/t12-,13+/m1/s1
InChIKeyCSSCMKGNFPNLNB-OLZOCXBDSA-N
MW377.49 g/mol
LogP-0.95
Rot. Bonds3

About [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone

[(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone (PubChem CID 70732444) has the molecular formula C14H23N3O5S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone
PubChem CID70732444
Molecular FormulaC14H23N3O5S2
Molecular Weight377.49 g/mol
Exact Mass377.11
IUPAC Name[(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)N2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C14H23N3O5S2/c18-14(11-3-4-11)16-7-8-17(13-10-23(19,20)9-12(13)16)24(21,22)15-5-1-2-6-15/h11-13H,1-10H2/t12-,13+/m1/s1
InChIKeyCSSCMKGNFPNLNB-OLZOCXBDSA-N
XLogP-0.95
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone 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 [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone (CID 70732444) is [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(S(=O)(=O)N2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21.
What is the InChIKey of [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone?
The InChIKey is CSSCMKGNFPNLNB-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H23N3O5S2/c18-14(11-3-4-11)16-7-8-17(13-10-23(19,20)9-12(13)16)24(21,22)15-5-1-2-6-15/h11-13H,1-10H2/t12-,13+/m1/s1.
What are the key properties of [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone?
[(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone has a molecular weight of 377.49 g/mol, XLogP of -0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-6,6-dioxo-4-pyrrolidin-1-ylsulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 70732444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).