[1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol

C11H17N3O3S — CID 112628547

IUPAC[1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
SMILESCNc1ccncc1S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C11H17N3O3S/c1-12-10-2-4-13-6-11(10)18(16,17)14-5-3-9(7-14)8-15/h2,4,6,9,15H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyCPNVMVPSANXYHV-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.13
Rot. Bonds4

About [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol

[1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol (PubChem CID 112628547) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
PubChem CID112628547
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
SMILESCNc1ccncc1S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C11H17N3O3S/c1-12-10-2-4-13-6-11(10)18(16,17)14-5-3-9(7-14)8-15/h2,4,6,9,15H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyCPNVMVPSANXYHV-UHFFFAOYSA-N
XLogP0.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]methanol
CID 112626117
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
CID 64581559
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
CID 66370510
4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
CID 66061070
[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628564
1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 64694981
1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one
CID 102892159
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine
CID 79165396
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370984
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64520844
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol (CID 112628547) is [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol is CNc1ccncc1S(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The InChIKey is CPNVMVPSANXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-12-10-2-4-13-6-11(10)18(16,17)14-5-3-9(7-14)8-15/h2,4,6,9,15H,3,5,7-8H2,1H3,(H,12,13).
What are the key properties of [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
[1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol has a molecular weight of 271.34 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112628547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).