(3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

C14H19NO3S — CID 138973087

IUPAC(3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H]3CCCC32)cc1
InChIInChI=1S/C14H19NO3S/c1-18-12-5-7-13(8-6-12)19(16,17)15-10-9-11-3-2-4-14(11)15/h5-8,11,14H,2-4,9-10H2,1H3/t11-,14?/m1/s1
InChIKeyFDMQKFIFKMDWBI-YNODCEANSA-N
MW281.38 g/mol
LogP2.26
Rot. Bonds3

About (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

(3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (PubChem CID 138973087) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name(3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
PubChem CID138973087
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H]3CCCC32)cc1
InChIInChI=1S/C14H19NO3S/c1-18-12-5-7-13(8-6-12)19(16,17)15-10-9-11-3-2-4-14(11)15/h5-8,11,14H,2-4,9-10H2,1H3/t11-,14?/m1/s1
InChIKeyFDMQKFIFKMDWBI-YNODCEANSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole with MolForge

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-(pyrrolidin-1-yl)piperidine
CID 1121648
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
1-(4-Methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
CID 850045
2-[(4-methoxyphenyl)sulfonyl]-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
CID 3241747
1-[2-[(2R)-1-[(3-Methoxyphenyl)sulfonyl]-2-pyrrolidinyl]ethyl]-4-methylpiperidine
CID 10499156
1-[2-[(2S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 44368705
(3S*,4R*)-1-{[4-(difluoromethoxy)phenyl]sulfonyl}-N,N-dimethyl-4-propyl-3-pyrrolidinamine
CID 70722908
N-cyclohexyl-4-methoxy-N-methylbenzenesulfonamide
CID 668794
(3S*,4R*)-4-isopropyl-1-[(3-methoxyphenyl)sulfonyl]-N,N-dimethyl-3-pyrrolidinamine
CID 72875035
9-(4-Methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 118739683
N,N-diisobutyl-4-methoxybenzenesulfonamide
CID 841735
1-[(4-Methoxyphenyl)sulfonyl]-3-methylpiperidine
CID 2843006

Frequently Asked Questions

What is the IUPAC name of (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The IUPAC name of (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (CID 138973087) is (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.
What is the SMILES notation for (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The canonical SMILES for (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is COc1ccc(S(=O)(=O)N2CC[C@H]3CCCC32)cc1.
What is the InChIKey of (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The InChIKey is FDMQKFIFKMDWBI-YNODCEANSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-18-12-5-7-13(8-6-12)19(16,17)15-10-9-11-3-2-4-14(11)15/h5-8,11,14H,2-4,9-10H2,1H3/t11-,14?/m1/s1.
What are the key properties of (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
(3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole has a molecular weight of 281.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is sourced from PubChem (CID 138973087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).