1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol

C8H19NO3S — CID 62333760

IUPAC1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol
SMILESCCS(=O)(=O)CCN(C)CC(C)O
InChIInChI=1S/C8H19NO3S/c1-4-13(11,12)6-5-9(3)7-8(2)10/h8,10H,4-7H2,1-3H3
InChIKeyDMODYKVVNKNVON-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.27
Rot. Bonds6

About 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol

1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol (PubChem CID 62333760) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol
PubChem CID62333760
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol
SMILESCCS(=O)(=O)CCN(C)CC(C)O
InChIInChI=1S/C8H19NO3S/c1-4-13(11,12)6-5-9(3)7-8(2)10/h8,10H,4-7H2,1-3H3
InChIKeyDMODYKVVNKNVON-UHFFFAOYSA-N
XLogP-0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(octyl)amino]propan-2-ol
CID 62333367
N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
CID 164964311
2-[2-hydroxypropyl(methyl)amino]-N,N-dipropylacetamide
CID 62334661
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 62332975
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332611
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
CID 103710589
2-[2-hydroxyhexadecyl(methyl)amino]ethanesulfonic acid
CID 57278408

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol (CID 62333760) is 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol is CCS(=O)(=O)CCN(C)CC(C)O.
What is the InChIKey of 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol?
The InChIKey is DMODYKVVNKNVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-13(11,12)6-5-9(3)7-8(2)10/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol?
1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol has a molecular weight of 209.31 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 62333760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).