1-(dimethylamino)-5-methylsulfonylpentan-2-ol

C8H19NO3S — CID 79087206

IUPAC1-(dimethylamino)-5-methylsulfonylpentan-2-ol
SMILESCN(C)CC(O)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-9(2)7-8(10)5-4-6-13(3,11)12/h8,10H,4-7H2,1-3H3
InChIKeyTXRXYCPFBNECAL-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.27
Rot. Bonds6

About 1-(dimethylamino)-5-methylsulfonylpentan-2-ol

1-(dimethylamino)-5-methylsulfonylpentan-2-ol (PubChem CID 79087206) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(dimethylamino)-5-methylsulfonylpentan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-5-methylsulfonylpentan-2-ol
PubChem CID79087206
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name1-(dimethylamino)-5-methylsulfonylpentan-2-ol
SMILESCN(C)CC(O)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-9(2)7-8(10)5-4-6-13(3,11)12/h8,10H,4-7H2,1-3H3
InChIKeyTXRXYCPFBNECAL-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

1,7-bis(dimethylamino)heptane-2,6-diol
CID 122517238
7-methyl-1-methylsulfonyloctan-4-ol
CID 63192258
1-(dimethylamino)octane-2,7-diol
CID 123214691
6-methyl-1-methylsulfonyloctan-4-ol
CID 115780121
3-methyl-6-methylsulfonylhexan-2-one
CID 63191488
1-N,1-N-dimethyl-4-methylsulfonylbutane-1,2-diamine
CID 79093869
6,8,8-trimethyl-1-methylsulfonylnonan-4-ol
CID 115780204
1-chloro-2-(chloromethyl)-5-methylsulfonylpentane
CID 79447366
5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol
CID 63192447
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol
CID 80560226
1,1-diethoxy-5-methylsulfonylpentan-2-ol
CID 79496142

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-5-methylsulfonylpentan-2-ol?
The IUPAC name of 1-(dimethylamino)-5-methylsulfonylpentan-2-ol (CID 79087206) is 1-(dimethylamino)-5-methylsulfonylpentan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-5-methylsulfonylpentan-2-ol?
The canonical SMILES for 1-(dimethylamino)-5-methylsulfonylpentan-2-ol is CN(C)CC(O)CCCS(C)(=O)=O.
What is the InChIKey of 1-(dimethylamino)-5-methylsulfonylpentan-2-ol?
The InChIKey is TXRXYCPFBNECAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-9(2)7-8(10)5-4-6-13(3,11)12/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-5-methylsulfonylpentan-2-ol?
1-(dimethylamino)-5-methylsulfonylpentan-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-(dimethylamino)-5-methylsulfonylpentan-2-ol is sourced from PubChem (CID 79087206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).