(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol

C8H17NO4S — CID 66291110

IUPAC(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
SMILESCOCCCS(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C8H17NO4S/c1-13-5-2-6-14(11,12)9-4-3-8(10)7-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyFKCBOERWSPRRHO-QMMMGPOBSA-N
MW223.29 g/mol
LogP-0.58
Rot. Bonds5

About (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol

(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol (PubChem CID 66291110) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
PubChem CID66291110
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
SMILESCOCCCS(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C8H17NO4S/c1-13-5-2-6-14(11,12)9-4-3-8(10)7-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyFKCBOERWSPRRHO-QMMMGPOBSA-N
XLogP-0.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate
CID 55173077
1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
CID 82843149
N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63879116
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
CID 112562206
[(3S,4S)-1-(3-methoxypropylsulfonyl)-4-methylpyrrolidin-3-yl]methanol
CID 136581039

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol (CID 66291110) is (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol is COCCCS(=O)(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol?
The InChIKey is FKCBOERWSPRRHO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-13-5-2-6-14(11,12)9-4-3-8(10)7-9/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol?
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol has a molecular weight of 223.29 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 66291110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).