3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol

C11H18N2O3S — CID 114598966

IUPAC3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
SMILESCC(C)C(CO)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-8(2)9(7-14)13-11-10(17(3,15)16)5-4-6-12-11/h4-6,8-9,14H,7H2,1-3H3,(H,12,13)
InChIKeyGHIRNPVFNHZMAK-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.91
Rot. Bonds5

About 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol

3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol (PubChem CID 114598966) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
PubChem CID114598966
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
SMILESCC(C)C(CO)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-8(2)9(7-14)13-11-10(17(3,15)16)5-4-6-12-11/h4-6,8-9,14H,7H2,1-3H3,(H,12,13)
InChIKeyGHIRNPVFNHZMAK-UHFFFAOYSA-N
XLogP0.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diisopropyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741689
3-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 9280425
N,N-diethyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741687
2-[(2-Methoxyethyl)amino]-5-(pyrrolidinylsulfonyl)pyridine
CID 2524141
5-(2-Methylpropanesulfonyl)pyridin-2-amine
CID 20355448
2-Methyl-1-methylsulfanyl-3-(pyridin-2-ylamino)propan-2-ol
CID 71977971
(2R)-2-[[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol
CID 172436613
4-Methylsulfanyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003457
4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-2-amine
CID 91659512
3-methanesulfonyl-N-(propan-2-yl)pyridin-2-amine
CID 114598585
N-(3-bicyclo[3.1.0]hexanyl)-5-methylsulfonylpyridin-2-amine
CID 128902238
N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 136574943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol (CID 114598966) is 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol is CC(C)C(CO)Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol?
The InChIKey is GHIRNPVFNHZMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(2)9(7-14)13-11-10(17(3,15)16)5-4-6-12-11/h4-6,8-9,14H,7H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol?
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 114598966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).