(1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol

C12H25NO4S — CID 102174650

IUPAC(1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol
SMILESCCCCC[C@@H](O)[C@H]1CCCN1S(=O)(=O)CCO
InChIInChI=1S/C12H25NO4S/c1-2-3-4-7-12(15)11-6-5-8-13(11)18(16,17)10-9-14/h11-12,14-15H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyYGWFKVCLMYICDN-VXGBXAGGSA-N
MW279.40 g/mol
LogP0.71
Rot. Bonds8

About (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol

(1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol (PubChem CID 102174650) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol
PubChem CID102174650
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name(1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol
SMILESCCCCC[C@@H](O)[C@H]1CCCN1S(=O)(=O)CCO
InChIInChI=1S/C12H25NO4S/c1-2-3-4-7-12(15)11-6-5-8-13(11)18(16,17)10-9-14/h11-12,14-15H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyYGWFKVCLMYICDN-VXGBXAGGSA-N
XLogP0.71
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 102174651
[(2S,4S)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 137846458
[(2S)-1-ethylsulfonylpyrrolidin-2-yl]methanol
CID 28345645
[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654487
[(2R)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654556
(1-Propan-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61409013
(1-Propan-2-ylsulfinylpyrrolidin-2-yl)methanol
CID 130795646
(2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
CID 155141522
2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
CID 155698687
[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanol
CID 28345646
[(2S)-1-butylsulfonylpyrrolidin-2-yl]methanol
CID 28345647
[(2R)-1-ethylsulfonylpyrrolidin-2-yl]methanol
CID 39086671

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol?
The IUPAC name of (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol (CID 102174650) is (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol.
What is the SMILES notation for (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol?
The canonical SMILES for (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol is CCCCC[C@@H](O)[C@H]1CCCN1S(=O)(=O)CCO.
What is the InChIKey of (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol?
The InChIKey is YGWFKVCLMYICDN-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-2-3-4-7-12(15)11-6-5-8-13(11)18(16,17)10-9-14/h11-12,14-15H,2-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol?
(1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol is sourced from PubChem (CID 102174650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).