(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol

C16H25N3O3S — CID 124842088

IUPAC(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
SMILESC[C@@H](O)C[C@@H]1CCCN1c1cc(S(=O)(=O)N2CCCC2)ccn1
InChIInChI=1S/C16H25N3O3S/c1-13(20)11-14-5-4-10-19(14)16-12-15(6-7-17-16)23(21,22)18-8-2-3-9-18/h6-7,12-14,20H,2-5,8-11H2,1H3/t13-,14+/m1/s1
InChIKeyBOHHGNKXGKFKTL-KGLIPLIRSA-N
MW339.46 g/mol
LogP1.61
Rot. Bonds5

About (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol

(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 124842088) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID124842088
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
SMILESC[C@@H](O)C[C@@H]1CCCN1c1cc(S(=O)(=O)N2CCCC2)ccn1
InChIInChI=1S/C16H25N3O3S/c1-13(20)11-14-5-4-10-19(14)16-12-15(6-7-17-16)23(21,22)18-8-2-3-9-18/h6-7,12-14,20H,2-5,8-11H2,1H3/t13-,14+/m1/s1
InChIKeyBOHHGNKXGKFKTL-KGLIPLIRSA-N
XLogP1.61
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol with MolForge

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Related Compounds

1-(1-pyrimidin-4-ylazepan-2-yl)propan-2-ol
CID 112748409
1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 112747946
(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 124850219
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
(2S)-1-[(2S)-1-[6-[[(3S)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 129342990
N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 146089483
2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
CID 141444822
1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
CID 104690178
[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 124506768

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol (CID 124842088) is (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol is C[C@@H](O)C[C@@H]1CCCN1c1cc(S(=O)(=O)N2CCCC2)ccn1.
What is the InChIKey of (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is BOHHGNKXGKFKTL-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13(20)11-14-5-4-10-19(14)16-12-15(6-7-17-16)23(21,22)18-8-2-3-9-18/h6-7,12-14,20H,2-5,8-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 339.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 124842088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).