1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol

C12H26N2O4S — CID 79622499

IUPAC1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
SMILESCOCCNCC(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O4S/c1-18-7-5-13-9-12(15)8-11-4-3-6-14(10-11)19(2,16)17/h11-13,15H,3-10H2,1-2H3
InChIKeyHBGNZHXZCBPSDA-UHFFFAOYSA-N
MW294.42 g/mol
LogP-0.35
Rot. Bonds8

About 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol

1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol (PubChem CID 79622499) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
PubChem CID79622499
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
SMILESCOCCNCC(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O4S/c1-18-7-5-13-9-12(15)8-11-4-3-6-14(10-11)19(2,16)17/h11-13,15H,3-10H2,1-2H3
InChIKeyHBGNZHXZCBPSDA-UHFFFAOYSA-N
XLogP-0.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-(2-methylpropylsulfanyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79609309
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63879288
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988
N-ethyl-1,1-dimethoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79621945
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol (CID 79622499) is 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol is COCCNCC(O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The InChIKey is HBGNZHXZCBPSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-18-7-5-13-9-12(15)8-11-4-3-6-14(10-11)19(2,16)17/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol has a molecular weight of 294.42 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol is sourced from PubChem (CID 79622499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).