[(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

C14H17NO4S3 — CID 129430128

IUPAC[(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCOc1ccsc1S(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1
InChIInChI=1S/C14H17NO4S3/c1-19-13-3-5-21-14(13)22(17,18)15-6-11(8-16)12(7-15)10-2-4-20-9-10/h2-5,9,11-12,16H,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyYHPKWZHXZBWTPA-VXGBXAGGSA-N
MW359.49 g/mol
LogP2.21
Rot. Bonds5

About [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

[(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 129430128) has the molecular formula C14H17NO4S3 and a molecular weight of 359.49 g/mol. Its IUPAC name is [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID129430128
Molecular FormulaC14H17NO4S3
Molecular Weight359.49 g/mol
Exact Mass359.03
IUPAC Name[(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCOc1ccsc1S(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1
InChIInChI=1S/C14H17NO4S3/c1-19-13-3-5-21-14(13)22(17,18)15-6-11(8-16)12(7-15)10-2-4-20-9-10/h2-5,9,11-12,16H,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyYHPKWZHXZBWTPA-VXGBXAGGSA-N
XLogP2.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 129430128) is [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is COc1ccsc1S(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1.
What is the InChIKey of [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is YHPKWZHXZBWTPA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17NO4S3/c1-19-13-3-5-21-14(13)22(17,18)15-6-11(8-16)12(7-15)10-2-4-20-9-10/h2-5,9,11-12,16H,6-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 359.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129430128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).