N,N-diethyl-3-methylbutanamide;1,3-thiazolidine

C12H26N2OS — CID 69463759

IUPACN,N-diethyl-3-methylbutanamide;1,3-thiazolidine
SMILESC1CSCN1.CCN(CC)C(=O)CC(C)C
InChIInChI=1S/C9H19NO.C3H7NS/c1-5-10(6-2)9(11)7-8(3)4;1-2-5-3-4-1/h8H,5-7H2,1-4H3;4H,1-3H2
InChIKeyZKCRUHRZQZBWHV-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.18
Rot. Bonds4

About N,N-diethyl-3-methylbutanamide;1,3-thiazolidine

N,N-diethyl-3-methylbutanamide;1,3-thiazolidine (PubChem CID 69463759) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N,N-diethyl-3-methylbutanamide;1,3-thiazolidine.

Molecular Properties

Compound NameN,N-diethyl-3-methylbutanamide;1,3-thiazolidine
PubChem CID69463759
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN,N-diethyl-3-methylbutanamide;1,3-thiazolidine
SMILESC1CSCN1.CCN(CC)C(=O)CC(C)C
InChIInChI=1S/C9H19NO.C3H7NS/c1-5-10(6-2)9(11)7-8(3)4;1-2-5-3-4-1/h8H,5-7H2,1-4H3;4H,1-3H2
InChIKeyZKCRUHRZQZBWHV-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylbutanamide;1,3-thiazolidine?
The IUPAC name of N,N-diethyl-3-methylbutanamide;1,3-thiazolidine (CID 69463759) is N,N-diethyl-3-methylbutanamide;1,3-thiazolidine.
What is the SMILES notation for N,N-diethyl-3-methylbutanamide;1,3-thiazolidine?
The canonical SMILES for N,N-diethyl-3-methylbutanamide;1,3-thiazolidine is C1CSCN1.CCN(CC)C(=O)CC(C)C.
What is the InChIKey of N,N-diethyl-3-methylbutanamide;1,3-thiazolidine?
The InChIKey is ZKCRUHRZQZBWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C3H7NS/c1-5-10(6-2)9(11)7-8(3)4;1-2-5-3-4-1/h8H,5-7H2,1-4H3;4H,1-3H2.
What are the key properties of N,N-diethyl-3-methylbutanamide;1,3-thiazolidine?
N,N-diethyl-3-methylbutanamide;1,3-thiazolidine has a molecular weight of 246.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylbutanamide;1,3-thiazolidine is sourced from PubChem (CID 69463759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).