(3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide

C16H27N5O2S — CID 110138938

IUPAC(3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1
InChIInChI=1S/C16H27N5O2S/c1-4-20(5-2)24(22,23)21-11-13-6-7-15(14(13)12-21)19(3)16-10-17-8-9-18-16/h8-10,13-15H,4-7,11-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyZFRMKFYIIBNQAV-QLFBSQMISA-N
MW353.49 g/mol
LogP1.21
Rot. Bonds6

About (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide

(3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide (PubChem CID 110138938) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide.

Molecular Properties

Compound Name(3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
PubChem CID110138938
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name(3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1
InChIInChI=1S/C16H27N5O2S/c1-4-20(5-2)24(22,23)21-11-13-6-7-15(14(13)12-21)19(3)16-10-17-8-9-18-16/h8-10,13-15H,4-7,11-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyZFRMKFYIIBNQAV-QLFBSQMISA-N
XLogP1.21
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide 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 (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The IUPAC name of (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide (CID 110138938) is (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide.
What is the SMILES notation for (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The canonical SMILES for (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide is CCN(CC)S(=O)(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1.
What is the InChIKey of (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The InChIKey is ZFRMKFYIIBNQAV-QLFBSQMISA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-4-20(5-2)24(22,23)21-11-13-6-7-15(14(13)12-21)19(3)16-10-17-8-9-18-16/h8-10,13-15H,4-7,11-12H2,1-3H3/t13-,14+,15-/m1/s1.
What are the key properties of (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
(3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide is sourced from PubChem (CID 110138938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).