3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol

C12H19NO3S — CID 89464997

IUPAC3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol
SMILESCCCCc1ccc(S(=O)(=O)CCCO)nc1
InChIInChI=1S/C12H19NO3S/c1-2-3-5-11-6-7-12(13-10-11)17(15,16)9-4-8-14/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyMCJMHRDHCYSIQD-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.58
Rot. Bonds7

About 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol

3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol (PubChem CID 89464997) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol.

Molecular Properties

Compound Name3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol
PubChem CID89464997
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol
SMILESCCCCc1ccc(S(=O)(=O)CCCO)nc1
InChIInChI=1S/C12H19NO3S/c1-2-3-5-11-6-7-12(13-10-11)17(15,16)9-4-8-14/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyMCJMHRDHCYSIQD-UHFFFAOYSA-N
XLogP1.58
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
5-(4-butylphenoxy)-2-methylsulfonylpyridine
CID 163959552
1-dodecyl-4-tetradecylsulfonylbenzene
CID 173458099
5-butyl-N-methylpyridin-2-amine
CID 139696772
3-(5-butyl-2-pyridinyl)-3-oxopropanoic acid
CID 66692091
4-butyl-2-ethylsulfonylpyridine
CID 173100976
6-propylsulfonylpyridine-3-sulfonyl chloride
CID 112572832
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
propan-2-yl 5-butylpyridine-2-carboxylate
CID 67977918
1-[4-(3-hydroxypropylsulfonyl)phenyl]butan-1-one
CID 82164730

Frequently Asked Questions

What is the IUPAC name of 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol?
The IUPAC name of 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol (CID 89464997) is 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol.
What is the SMILES notation for 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol?
The canonical SMILES for 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol is CCCCc1ccc(S(=O)(=O)CCCO)nc1.
What is the InChIKey of 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol?
The InChIKey is MCJMHRDHCYSIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-2-3-5-11-6-7-12(13-10-11)17(15,16)9-4-8-14/h6-7,10,14H,2-5,8-9H2,1H3.
What are the key properties of 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol?
3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol has a molecular weight of 257.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol is sourced from PubChem (CID 89464997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).