5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol

C9H21NO3S — CID 66039843

IUPAC5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(C)(O)CNC
InChIInChI=1S/C9H21NO3S/c1-4-14(12,13)7-5-6-9(2,11)8-10-3/h10-11H,4-8H2,1-3H3
InChIKeyJRWVCKNNJLSUMQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.17
Rot. Bonds7

About 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol

5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol (PubChem CID 66039843) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol
PubChem CID66039843
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(C)(O)CNC
InChIInChI=1S/C9H21NO3S/c1-4-14(12,13)7-5-6-9(2,11)8-10-3/h10-11H,4-8H2,1-3H3
InChIKeyJRWVCKNNJLSUMQ-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
CID 65097556
2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 83147780
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
3-ethyl-6-ethylsulfonylhexan-3-ol
CID 65144971
6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
CID 66001894
2-cyclopropyl-5-ethylsulfonylpentan-2-ol
CID 65147052
2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640549
1-(cyclopropylamino)-2-methyl-5-methylsulfonylpentan-2-ol
CID 66039408
1-ethylsulfonyl-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865370
2-methyl-1-(methylsulfamoylamino)pentan-2-ol
CID 106290478
5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol
CID 115467201

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol?
The IUPAC name of 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol (CID 66039843) is 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol.
What is the SMILES notation for 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol?
The canonical SMILES for 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol is CCS(=O)(=O)CCCC(C)(O)CNC.
What is the InChIKey of 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol?
The InChIKey is JRWVCKNNJLSUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-14(12,13)7-5-6-9(2,11)8-10-3/h10-11H,4-8H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol?
5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol has a molecular weight of 223.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol is sourced from PubChem (CID 66039843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).