2-ethylsulfanyl-N,N-dimethylpropan-1-amine

C7H17NS — CID 123426683

IUPAC2-ethylsulfanyl-N,N-dimethylpropan-1-amine
SMILESCCSC(C)CN(C)C
InChIInChI=1S/C7H17NS/c1-5-9-7(2)6-8(3)4/h7H,5-6H2,1-4H3
InChIKeyGCVULDYWPQGGFD-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.69
Rot. Bonds4

About 2-ethylsulfanyl-N,N-dimethylpropan-1-amine

2-ethylsulfanyl-N,N-dimethylpropan-1-amine (PubChem CID 123426683) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 2-ethylsulfanyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N,N-dimethylpropan-1-amine
PubChem CID123426683
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name2-ethylsulfanyl-N,N-dimethylpropan-1-amine
SMILESCCSC(C)CN(C)C
InChIInChI=1S/C7H17NS/c1-5-9-7(2)6-8(3)4/h7H,5-6H2,1-4H3
InChIKeyGCVULDYWPQGGFD-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfanylbutane
CID 521270
N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine
CID 155445775
2-ethylsulfanyl-1-methylsulfanylpropane
CID 86127985
(2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
CID 130204472
2-ethylsulfanyl-1-methoxypropane
CID 126992573
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide
CID 90339076
carbanide;rutherfordium;N,N,2-trimethylbutan-1-amine
CID 166075746
N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine
CID 174507870

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-ethylsulfanyl-N,N-dimethylpropan-1-amine (CID 123426683) is 2-ethylsulfanyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-ethylsulfanyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-ethylsulfanyl-N,N-dimethylpropan-1-amine is CCSC(C)CN(C)C.
What is the InChIKey of 2-ethylsulfanyl-N,N-dimethylpropan-1-amine?
The InChIKey is GCVULDYWPQGGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-5-9-7(2)6-8(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-N,N-dimethylpropan-1-amine?
2-ethylsulfanyl-N,N-dimethylpropan-1-amine has a molecular weight of 147.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 123426683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).