N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide

C11H23NO2S — CID 107032948

IUPACN,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide
SMILESCC(C)OCCN(C)C(=O)C(S)C(C)C
InChIInChI=1S/C11H23NO2S/c1-8(2)10(15)11(13)12(5)6-7-14-9(3)4/h8-10,15H,6-7H2,1-5H3
InChIKeyUQYRSGLEIABDDL-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.82
Rot. Bonds6

About N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide

N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide (PubChem CID 107032948) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide
PubChem CID107032948
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide
SMILESCC(C)OCCN(C)C(=O)C(S)C(C)C
InChIInChI=1S/C11H23NO2S/c1-8(2)10(15)11(13)12(5)6-7-14-9(3)4/h8-10,15H,6-7H2,1-5H3
InChIKeyUQYRSGLEIABDDL-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167
(2R)-2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104903767
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
N-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 81056033
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
N-methyl-6-propan-2-yloxy-N-(2-propan-2-yloxyethyl)hexanamide
CID 167520219
2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81056043
3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 170371515
7-amino-N-methyl-N-(2-propan-2-yloxyethyl)heptanamide
CID 81056335
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
5-chloro-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 81058718

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide?
The IUPAC name of N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide (CID 107032948) is N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide.
What is the SMILES notation for N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide?
The canonical SMILES for N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide is CC(C)OCCN(C)C(=O)C(S)C(C)C.
What is the InChIKey of N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide?
The InChIKey is UQYRSGLEIABDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-8(2)10(15)11(13)12(5)6-7-14-9(3)4/h8-10,15H,6-7H2,1-5H3.
What are the key properties of N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide?
N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide has a molecular weight of 233.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide is sourced from PubChem (CID 107032948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).