4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole

C17H23N3O2S — CID 97153671

IUPAC4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
SMILESO=S(=O)([C@@H]1CCN(Cc2cccc3[nH]ccc23)C1)N1CCCC1
InChIInChI=1S/C17H23N3O2S/c21-23(22,20-9-1-2-10-20)15-7-11-19(13-15)12-14-4-3-5-17-16(14)6-8-18-17/h3-6,8,15,18H,1-2,7,9-13H2/t15-/m1/s1
InChIKeyDBVWAIARDCMUOY-OAHLLOKOSA-N
MW333.46 g/mol
LogP2.17
Rot. Bonds4

About 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole

4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole (PubChem CID 97153671) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
PubChem CID97153671
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
SMILESO=S(=O)([C@@H]1CCN(Cc2cccc3[nH]ccc23)C1)N1CCCC1
InChIInChI=1S/C17H23N3O2S/c21-23(22,20-9-1-2-10-20)15-7-11-19(13-15)12-14-4-3-5-17-16(14)6-8-18-17/h3-6,8,15,18H,1-2,7,9-13H2/t15-/m1/s1
InChIKeyDBVWAIARDCMUOY-OAHLLOKOSA-N
XLogP2.17
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
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5-fluoro-N-[(3R)-1-(1H-indol-4-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenesulfonamide
CID 25036690
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343
(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124959435
2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
CID 155986420
4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 129374249
(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 164629277
4-chloro-1-(1H-indol-4-ylmethyl)pyrrolidin-2-one
CID 168688806
N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922
(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-6-(1H-indol-4-ylmethyl)-1-oxa-6-azacyclododecane-3,4-diol
CID 155998133
(1S,11R)-2-(1H-indol-4-ylmethyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199306

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole?
The IUPAC name of 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole (CID 97153671) is 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole is O=S(=O)([C@@H]1CCN(Cc2cccc3[nH]ccc23)C1)N1CCCC1.
What is the InChIKey of 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole?
The InChIKey is DBVWAIARDCMUOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2S/c21-23(22,20-9-1-2-10-20)15-7-11-19(13-15)12-14-4-3-5-17-16(14)6-8-18-17/h3-6,8,15,18H,1-2,7,9-13H2/t15-/m1/s1.
What are the key properties of 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole?
4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole has a molecular weight of 333.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 97153671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).