2-propan-2-ylsulfanylpropanamide

C6H13NOS — CID 59881908

IUPAC2-propan-2-ylsulfanylpropanamide
SMILESCC(C)SC(C)C(N)=O
InChIInChI=1S/C6H13NOS/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H2,7,8)
InChIKeyRYNFEPMJRWHPQK-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.00
Rot. Bonds3

About 2-propan-2-ylsulfanylpropanamide

2-propan-2-ylsulfanylpropanamide (PubChem CID 59881908) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-propan-2-ylsulfanylpropanamide
PubChem CID59881908
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-propan-2-ylsulfanylpropanamide
SMILESCC(C)SC(C)C(N)=O
InChIInChI=1S/C6H13NOS/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H2,7,8)
InChIKeyRYNFEPMJRWHPQK-UHFFFAOYSA-N
XLogP1.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid
CID 43082896
2-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 115659409
2-aminopropanamide;dihydrochloride
CID 19963402
2,3-dimethylbutanediamide
CID 55281411
(1-amino-1-oxopropan-2-yl) ethanimidothioate
CID 87476191
(2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide
CID 7467364
1,1-bis(propan-2-ylsulfanyl)propan-2-one
CID 172516908
2-aminopropanamide;ethane
CID 156828005
2-methylpropanamide;bis(propan-2-one)
CID 174404145
(2S)-2-fluoropropanamide
CID 129374964
2-dimethoxyphosphinothioylsulfanylpropanamide
CID 57352711
2-(methylamino)propanamide;hydrochloride
CID 71433439

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylpropanamide?
The IUPAC name of 2-propan-2-ylsulfanylpropanamide (CID 59881908) is 2-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for 2-propan-2-ylsulfanylpropanamide?
The canonical SMILES for 2-propan-2-ylsulfanylpropanamide is CC(C)SC(C)C(N)=O.
What is the InChIKey of 2-propan-2-ylsulfanylpropanamide?
The InChIKey is RYNFEPMJRWHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H2,7,8).
What are the key properties of 2-propan-2-ylsulfanylpropanamide?
2-propan-2-ylsulfanylpropanamide has a molecular weight of 147.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 59881908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).