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

C9H19NOS — CID 126656909

IUPAC2-tert-butylsulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC(C)(C)C
InChIInChI=1S/C9H19NOS/c1-7(2)10-8(11)6-12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyXATIQWPOZOBBSO-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.04
Rot. Bonds3

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

2-tert-butylsulfanyl-N-propan-2-ylacetamide (PubChem CID 126656909) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-propan-2-ylacetamide
PubChem CID126656909
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-tert-butylsulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC(C)(C)C
InChIInChI=1S/C9H19NOS/c1-7(2)10-8(11)6-12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyXATIQWPOZOBBSO-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
CID 120506117
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731
2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid
CID 43469570
2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43418122
2-[(2-tert-butylsulfanylacetyl)amino]-3-methoxypropanoic acid
CID 81076644
S-[2-oxo-2-(propan-2-ylamino)ethyl] ethanethioate
CID 58731472
(2S)-2-[(2-tert-butylsulfanylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307462
2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829687
(2R)-2-[(2-tert-butylsulfanylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820679
2-tert-butylsulfanyl-N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 97237202
2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid
CID 81223270
2-tert-butylsulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62517594

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-propan-2-ylacetamide (CID 126656909) is 2-tert-butylsulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-propan-2-ylacetamide?
The InChIKey is XATIQWPOZOBBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(2)10-8(11)6-12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of 2-tert-butylsulfanyl-N-propan-2-ylacetamide?
2-tert-butylsulfanyl-N-propan-2-ylacetamide has a molecular weight of 189.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 126656909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).