2-(dimethylamino)-4-methylsulfanylbutan-1-ol

C7H17NOS — CID 74829585

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

About 2-(dimethylamino)-4-methylsulfanylbutan-1-ol

2-(dimethylamino)-4-methylsulfanylbutan-1-ol (PubChem CID 74829585) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-4-methylsulfanylbutan-1-ol
PubChem CID74829585
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-(dimethylamino)-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)N(C)C
InChIInChI=1S/C7H17NOS/c1-8(2)7(6-9)4-5-10-3/h7,9H,4-6H2,1-3H3
InChIKeyPVWBVMDMWLQDRW-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

1-chloro-4-(dimethylamino)pentane-1,5-diol
CID 129013782
(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 122598637
2-(dimethylamino)-3-ethylsulfanylpropan-1-ol
CID 130146681
(2R)-3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 89006071
3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 58361149
2-azido-4-methylsulfanylbutan-1-ol
CID 130004794
3-methylsulfanylpropane-1,1-diol;hydrate
CID 162477816
2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848
2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112658412
N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 54055812
3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
CID 112706126
3-(dimethylamino)-4-hydroxybutanamide
CID 87905494

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 2-(dimethylamino)-4-methylsulfanylbutan-1-ol (CID 74829585) is 2-(dimethylamino)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-(dimethylamino)-4-methylsulfanylbutan-1-ol is CSCCC(CO)N(C)C.
What is the InChIKey of 2-(dimethylamino)-4-methylsulfanylbutan-1-ol?
The InChIKey is PVWBVMDMWLQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-8(2)7(6-9)4-5-10-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-(dimethylamino)-4-methylsulfanylbutan-1-ol?
2-(dimethylamino)-4-methylsulfanylbutan-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)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 74829585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).