[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol

C13H20ClN3O3S — CID 115966945

IUPAC[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(CO)C2)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-2-4-15-13-12(14)6-11(7-16-13)21(19,20)17-5-3-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyKEHQRJXQCFZVDU-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.56
Rot. Bonds6

About [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol

[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol (PubChem CID 115966945) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
PubChem CID115966945
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(CO)C2)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-2-4-15-13-12(14)6-11(7-16-13)21(19,20)17-5-3-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyKEHQRJXQCFZVDU-UHFFFAOYSA-N
XLogP1.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64606620
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 102759541
[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608915
[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628564
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988

Frequently Asked Questions

What is the IUPAC name of [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol (CID 115966945) is [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol is CCCNc1ncc(S(=O)(=O)N2CCC(CO)C2)cc1Cl.
What is the InChIKey of [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The InChIKey is KEHQRJXQCFZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-2-4-15-13-12(14)6-11(7-16-13)21(19,20)17-5-3-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol has a molecular weight of 333.84 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 115966945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).