2-butan-2-ylsulfanyl-N,N-diethylethanimidamide

C10H22N2S — CID 65141101

IUPAC2-butan-2-ylsulfanyl-N,N-diethylethanimidamide
SMILES[H]/N=C(\CSC(C)CC)N(CC)CC
InChIInChI=1S/C10H22N2S/c1-5-9(4)13-8-10(11)12(6-2)7-3/h9,11H,5-8H2,1-4H3/b11-10+
InChIKeyDLKHLPCBTJFLPY-ZHACJKMWSA-N
MW202.37 g/mol
LogP2.84
Rot. Bonds6

About 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide

2-butan-2-ylsulfanyl-N,N-diethylethanimidamide (PubChem CID 65141101) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N,N-diethylethanimidamide
PubChem CID65141101
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-butan-2-ylsulfanyl-N,N-diethylethanimidamide
SMILES[H]/N=C(\CSC(C)CC)N(CC)CC
InChIInChI=1S/C10H22N2S/c1-5-9(4)13-8-10(11)12(6-2)7-3/h9,11H,5-8H2,1-4H3/b11-10+
InChIKeyDLKHLPCBTJFLPY-ZHACJKMWSA-N
XLogP2.84
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide?
The IUPAC name of 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide (CID 65141101) is 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide?
The canonical SMILES for 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide is [H]/N=C(\CSC(C)CC)N(CC)CC.
What is the InChIKey of 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide?
The InChIKey is DLKHLPCBTJFLPY-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N2S/c1-5-9(4)13-8-10(11)12(6-2)7-3/h9,11H,5-8H2,1-4H3/b11-10+.
What are the key properties of 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide?
2-butan-2-ylsulfanyl-N,N-diethylethanimidamide has a molecular weight of 202.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N,N-diethylethanimidamide is sourced from PubChem (CID 65141101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).