2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol

C15H25N3O3S — CID 110257878

IUPAC2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol
SMILESCS(=O)(=O)N1CCCC(Cc2cncc(NCCO)c2)CC1
InChIInChI=1S/C15H25N3O3S/c1-22(20,21)18-6-2-3-13(4-7-18)9-14-10-15(12-16-11-14)17-5-8-19/h10-13,17,19H,2-9H2,1H3
InChIKeyFHKFHHPBEZZJJK-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.09
Rot. Bonds6

About 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol

2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol (PubChem CID 110257878) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol
PubChem CID110257878
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol
SMILESCS(=O)(=O)N1CCCC(Cc2cncc(NCCO)c2)CC1
InChIInChI=1S/C15H25N3O3S/c1-22(20,21)18-6-2-3-13(4-7-18)9-14-10-15(12-16-11-14)17-5-8-19/h10-13,17,19H,2-9H2,1H3
InChIKeyFHKFHHPBEZZJJK-UHFFFAOYSA-N
XLogP1.09
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[(6-chloropyrimidin-4-yl)methyl]-1-methylsulfonylazepane
CID 95804540
5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
CID 110257368
1-[(3R)-3-[[5-(propan-2-ylamino)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846503
6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine
CID 124974272
2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol
CID 124973957
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
4-[(1-methylsulfonylpiperidin-4-yl)methyl]benzoic acid
CID 90488105
2-[(5-amino-3-pyridinyl)amino]ethanol;hydrochloride
CID 175403125
5-[5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120467
2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102093
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124972197

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol (CID 110257878) is 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol is CS(=O)(=O)N1CCCC(Cc2cncc(NCCO)c2)CC1.
What is the InChIKey of 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol?
The InChIKey is FHKFHHPBEZZJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-22(20,21)18-6-2-3-13(4-7-18)9-14-10-15(12-16-11-14)17-5-8-19/h10-13,17,19H,2-9H2,1H3.
What are the key properties of 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol?
2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol has a molecular weight of 327.45 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 110257878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).