2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide

C11H24N2OS — CID 176618081

IUPAC2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(SC(C)(C)C)C(=O)NCCN(C)C
InChIInChI=1S/C11H24N2OS/c1-9(15-11(2,3)4)10(14)12-7-8-13(5)6/h9H,7-8H2,1-6H3,(H,12,14)
InChIKeyFHLMWSFLSMGBIJ-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.58
Rot. Bonds5

About 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide

2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 176618081) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID176618081
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(SC(C)(C)C)C(=O)NCCN(C)C
InChIInChI=1S/C11H24N2OS/c1-9(15-11(2,3)4)10(14)12-7-8-13(5)6/h9H,7-8H2,1-6H3,(H,12,14)
InChIKeyFHLMWSFLSMGBIJ-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-(dimethylamino)ethyl]propanamide
CID 94013189
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-2-propan-2-ylpentanamide
CID 166995281
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-propan-2-yloxypropanamide
CID 88930452
N-[2-(dimethylamino)ethyl]-2-(hydroxyamino)-2-methylpropanamide
CID 118563431
(2S)-N-[2-(dimethylamino)ethyl]-2-[2,2-dimethylpropanoyl(methyl)amino]-5-methyl-4-oxohexanamide
CID 137392087
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
2-(dimethylamino)ethylurea
CID 16785331
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218836
N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 71787636

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide (CID 176618081) is 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide is CC(SC(C)(C)C)C(=O)NCCN(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is FHLMWSFLSMGBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-9(15-11(2,3)4)10(14)12-7-8-13(5)6/h9H,7-8H2,1-6H3,(H,12,14).
What are the key properties of 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide?
2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 232.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 176618081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).