2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide

C14H30N2OS — CID 114234248

IUPAC2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSCC(C)CNC(C)(C)C
InChIInChI=1S/C14H30N2OS/c1-7-16(8-2)13(17)11-18-10-12(3)9-15-14(4,5)6/h12,15H,7-11H2,1-6H3
InChIKeyODZPHIXXHGYDSR-UHFFFAOYSA-N
MW274.47 g/mol
LogP2.61
Rot. Bonds8

About 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide

2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide (PubChem CID 114234248) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide
PubChem CID114234248
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSCC(C)CNC(C)(C)C
InChIInChI=1S/C14H30N2OS/c1-7-16(8-2)13(17)11-18-10-12(3)9-15-14(4,5)6/h12,15H,7-11H2,1-6H3
InChIKeyODZPHIXXHGYDSR-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide (CID 114234248) is 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSCC(C)CNC(C)(C)C.
What is the InChIKey of 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide?
The InChIKey is ODZPHIXXHGYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-7-16(8-2)13(17)11-18-10-12(3)9-15-14(4,5)6/h12,15H,7-11H2,1-6H3.
What are the key properties of 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide?
2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide has a molecular weight of 274.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 114234248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).