2-(dimethylamino)-3-ethylsulfanylpropan-1-ol

C7H17NOS — CID 130146681

IUPAC2-(dimethylamino)-3-ethylsulfanylpropan-1-ol
SMILESCCSCC(CO)N(C)C
InChIInChI=1S/C7H17NOS/c1-4-10-6-7(5-9)8(2)3/h7,9H,4-6H2,1-3H3
InChIKeyKBMTUMXHXAHNJT-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.66
Rot. Bonds5

About 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol

2-(dimethylamino)-3-ethylsulfanylpropan-1-ol (PubChem CID 130146681) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-3-ethylsulfanylpropan-1-ol
PubChem CID130146681
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-(dimethylamino)-3-ethylsulfanylpropan-1-ol
SMILESCCSCC(CO)N(C)C
InChIInChI=1S/C7H17NOS/c1-4-10-6-7(5-9)8(2)3/h7,9H,4-6H2,1-3H3
InChIKeyKBMTUMXHXAHNJT-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-2,3-dimethylbutan-1-ol
CID 142075292
2-chloro-3-ethylsulfanylpropan-1-ol
CID 13308623
2-(dimethylamino)-4-methylsulfanylbutan-1-ol
CID 74829585
2-(dimethylamino)hex-5-en-1-ol
CID 131050501
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
(2-ethylsulfanyl-1-phosphonoethyl)phosphonic acid
CID 14064014
1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine
CID 139604826
3-(dimethylamino)-4-hydroxybutanamide
CID 87905494
3-(ethylsulfanylmethylsulfanyl)-2-methylpropan-1-ol
CID 130686194
1-chloro-4-(dimethylamino)pentane-1,5-diol
CID 129013782
(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol
CID 98793114
1-cycloheptyl-2-ethylsulfanylethanol
CID 82931500

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol?
The IUPAC name of 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol (CID 130146681) is 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol?
The canonical SMILES for 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol is CCSCC(CO)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol?
The InChIKey is KBMTUMXHXAHNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-4-10-6-7(5-9)8(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol?
2-(dimethylamino)-3-ethylsulfanylpropan-1-ol has a molecular weight of 163.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-ethylsulfanylpropan-1-ol is sourced from PubChem (CID 130146681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).