N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide

C13H27NO2S — CID 111596787

IUPACN-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCCSC(C(=O)N(CC)CC(C)(C)O)C(C)C
InChIInChI=1S/C13H27NO2S/c1-7-14(9-13(5,6)16)12(15)11(10(3)4)17-8-2/h10-11,16H,7-9H2,1-6H3
InChIKeyBWMCXUVYLWLTFP-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.38
Rot. Bonds7

About N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide

N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide (PubChem CID 111596787) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
PubChem CID111596787
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCCSC(C(=O)N(CC)CC(C)(C)O)C(C)C
InChIInChI=1S/C13H27NO2S/c1-7-14(9-13(5,6)16)12(15)11(10(3)4)17-8-2/h10-11,16H,7-9H2,1-6H3
InChIKeyBWMCXUVYLWLTFP-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-hydroxyethyl)thiolane-3-carboxamide
CID 64163850
N-(2-hydroxyethyl)-N-methylthiolane-3-carboxamide
CID 64166096
N-(2-hydroxyethyl)-N-propylthiolane-3-carboxamide
CID 64166296
N-butyl-N-(2-hydroxyethyl)thiolane-3-carboxamide
CID 64166298
N-(2-hydroxypropyl)-N-methylthiolane-3-carboxamide
CID 64166302
N-ethyl-N-(2-hydroxyethyl)thiolane-3-carboxamide
CID 64166491
[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-(thiolan-3-yl)methanone
CID 64339400
N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 65110072
N-(2-hydroxy-2-methylbutyl)thiolane-3-carboxamide
CID 65114602
2-Butylsulfanyl-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 65918425
(3-Hydroxy-3-methylazetidin-1-yl)-(thiolan-3-yl)methanone
CID 65918657
2-Tert-butylsulfanyl-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)ethanone
CID 65941616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The IUPAC name of N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide (CID 111596787) is N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide.
What is the SMILES notation for N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The canonical SMILES for N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide is CCSC(C(=O)N(CC)CC(C)(C)O)C(C)C.
What is the InChIKey of N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The InChIKey is BWMCXUVYLWLTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-7-14(9-13(5,6)16)12(15)11(10(3)4)17-8-2/h10-11,16H,7-9H2,1-6H3.
What are the key properties of N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide has a molecular weight of 261.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide is sourced from PubChem (CID 111596787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).