N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide

C9H19NO2S — CID 43573006

IUPACN-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide
SMILESCSCCC(=O)N(CCO)C(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2)10(5-6-11)9(12)4-7-13-3/h8,11H,4-7H2,1-3H3
InChIKeyNZWLMOQQSDTJIN-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.97
Rot. Bonds6

About N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide

N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide (PubChem CID 43573006) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide
PubChem CID43573006
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide
SMILESCSCCC(=O)N(CCO)C(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2)10(5-6-11)9(12)4-7-13-3/h8,11H,4-7H2,1-3H3
InChIKeyNZWLMOQQSDTJIN-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide (CID 43573006) is N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide is CSCCC(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide?
The InChIKey is NZWLMOQQSDTJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)10(5-6-11)9(12)4-7-13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide?
N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide has a molecular weight of 205.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 43573006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).