(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol

C13H20N2O4S2 — CID 124992631

IUPAC(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccs1)N1CC[C@](O)(CN2CCOCC2)C1
InChIInChI=1S/C13H20N2O4S2/c16-13(10-14-5-7-19-8-6-14)3-4-15(11-13)21(17,18)12-2-1-9-20-12/h1-2,9,16H,3-8,10-11H2/t13-/m0/s1
InChIKeyPRYVMVIJJVIKIY-ZDUSSCGKSA-N
MW332.45 g/mol
LogP0.21
Rot. Bonds4

About (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol

(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol (PubChem CID 124992631) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
PubChem CID124992631
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccs1)N1CC[C@](O)(CN2CCOCC2)C1
InChIInChI=1S/C13H20N2O4S2/c16-13(10-14-5-7-19-8-6-14)3-4-15(11-13)21(17,18)12-2-1-9-20-12/h1-2,9,16H,3-8,10-11H2/t13-/m0/s1
InChIKeyPRYVMVIJJVIKIY-ZDUSSCGKSA-N
XLogP0.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
CID 124946623
(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471956
(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
CID 9449991
1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 110097934
2-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonane
CID 82038199
2-methyl-4-thiophen-2-ylsulfonylmorpholine-2-carboxamide
CID 127247675
4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
CID 2564272
4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine
CID 110361596
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67394620
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
1-thiophen-2-ylsulfonylpiperidine
CID 765823
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol (CID 124992631) is (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol is O=S(=O)(c1cccs1)N1CC[C@](O)(CN2CCOCC2)C1.
What is the InChIKey of (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The InChIKey is PRYVMVIJJVIKIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c16-13(10-14-5-7-19-8-6-14)3-4-15(11-13)21(17,18)12-2-1-9-20-12/h1-2,9,16H,3-8,10-11H2/t13-/m0/s1.
What are the key properties of (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol has a molecular weight of 332.45 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 124992631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).