(3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride

C20H30ClN3O6S — CID 70105920

IUPAC(3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride
SMILESCC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CN4CCOCC4)o3)[C@H]12.Cl
InChIInChI=1S/C20H29N3O6S.ClH/c1-13(2)17-18-15(23(20(17)25)30(3,26)27)6-7-22(18)19(24)16-5-4-14(29-16)12-21-8-10-28-11-9-21;/h4-5,13,15,17-18H,6-12H2,1-3H3;1H/t15-,17+,18-;/m0./s1
InChIKeyFKVCLGUOKNLZHO-KLWZODLKSA-N
MW476.00 g/mol
LogP1.19
Rot. Bonds5

About (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride

(3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride (PubChem CID 70105920) has the molecular formula C20H30ClN3O6S and a molecular weight of 476.00 g/mol. Its IUPAC name is (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride.

Molecular Properties

Compound Name(3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride
PubChem CID70105920
Molecular FormulaC20H30ClN3O6S
Molecular Weight476.00 g/mol
Exact Mass475.15
IUPAC Name(3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride
SMILESCC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CN4CCOCC4)o3)[C@H]12.Cl
InChIInChI=1S/C20H29N3O6S.ClH/c1-13(2)17-18-15(23(20(17)25)30(3,26)27)6-7-22(18)19(24)16-5-4-14(29-16)12-21-8-10-28-11-9-21;/h4-5,13,15,17-18H,6-12H2,1-3H3;1H/t15-,17+,18-;/m0./s1
InChIKeyFKVCLGUOKNLZHO-KLWZODLKSA-N
XLogP1.19
TPSA100.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride 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 (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride?
The IUPAC name of (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride (CID 70105920) is (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride.
What is the SMILES notation for (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride?
The canonical SMILES for (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride is CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CN4CCOCC4)o3)[C@H]12.Cl.
What is the InChIKey of (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride?
The InChIKey is FKVCLGUOKNLZHO-KLWZODLKSA-N. The full InChI is InChI=1S/C20H29N3O6S.ClH/c1-13(2)17-18-15(23(20(17)25)30(3,26)27)6-7-22(18)19(24)16-5-4-14(29-16)12-21-8-10-28-11-9-21;/h4-5,13,15,17-18H,6-12H2,1-3H3;1H/t15-,17+,18-;/m0./s1.
What are the key properties of (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride?
(3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride has a molecular weight of 476.00 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aR)-4-methylsulfonyl-1-[5-(morpholin-4-ylmethyl)furan-2-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride is sourced from PubChem (CID 70105920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).