2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide

C11H23NOS — CID 78853282

IUPAC2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CSC(C)(C)C
InChIInChI=1S/C11H23NOS/c1-9(2)7-12(6)10(13)8-14-11(3,4)5/h9H,7-8H2,1-6H3
InChIKeyJWLZAVDCAPUNCJ-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.63
Rot. Bonds4

About 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide

2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide (PubChem CID 78853282) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide
PubChem CID78853282
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CSC(C)(C)C
InChIInChI=1S/C11H23NOS/c1-9(2)7-12(6)10(13)8-14-11(3,4)5/h9H,7-8H2,1-6H3
InChIKeyJWLZAVDCAPUNCJ-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide
CID 78814922
2-tert-butylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877747
4-amino-N,3,3-trimethyl-N-(2-methylpropyl)butanamide
CID 115157243
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760027
2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572975
methyl 4-[(2-tert-butylsulfanylacetyl)-methylamino]butanoate
CID 54943106
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781233
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide (CID 78853282) is 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide is CC(C)CN(C)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide?
The InChIKey is JWLZAVDCAPUNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(2)7-12(6)10(13)8-14-11(3,4)5/h9H,7-8H2,1-6H3.
What are the key properties of 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide?
2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide has a molecular weight of 217.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 78853282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).