N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide

C9H19NO2S — CID 79384280

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H19NO2S/c1-9(2,12)7-10(3)8(11)5-6-13-4/h12H,5-7H2,1-4H3
InChIKeyIXSPCKRTPDPSBZ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.97
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide (PubChem CID 79384280) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide
PubChem CID79384280
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H19NO2S/c1-9(2,12)7-10(3)8(11)5-6-13-4/h12H,5-7H2,1-4H3
InChIKeyIXSPCKRTPDPSBZ-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide (CID 79384280) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide is CSCCC(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is IXSPCKRTPDPSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,12)7-10(3)8(11)5-6-13-4/h12H,5-7H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 205.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 79384280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).