2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide

C10H21NOS — CID 78814922

IUPAC2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CSC(C)(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)11(6)9(12)7-13-10(3,4)5/h8H,7H2,1-6H3
InChIKeyMRERHDXDTZRBRI-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.38
Rot. Bonds3

About 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide

2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide (PubChem CID 78814922) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide
PubChem CID78814922
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CSC(C)(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)11(6)9(12)7-13-10(3,4)5/h8H,7H2,1-6H3
InChIKeyMRERHDXDTZRBRI-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 106442921
2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide
CID 78853282
2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572975
2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
CID 23518875
2-tert-butylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877747
2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide
CID 66227909
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
2-(2,2-dimethylbutylamino)-N-methyl-N-propan-2-ylacetamide
CID 103461330
N-methyl-2-[(2-methylpropan-2-yl)oxyamino]-N-propan-2-ylacetamide
CID 82723226
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269029
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide (CID 78814922) is 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide?
The InChIKey is MRERHDXDTZRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)11(6)9(12)7-13-10(3,4)5/h8H,7H2,1-6H3.
What are the key properties of 2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide?
2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide has a molecular weight of 203.35 g/mol, XLogP of 2.38, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 78814922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).