2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide

C11H24N2OS — CID 43601582

IUPAC2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide
SMILESCCNCCCNC(=O)CSC(C)(C)C
InChIInChI=1S/C11H24N2OS/c1-5-12-7-6-8-13-10(14)9-15-11(2,3)4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyQQDNCHKHXAVCRS-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.63
Rot. Bonds7

About 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide

2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide (PubChem CID 43601582) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide
PubChem CID43601582
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide
SMILESCCNCCCNC(=O)CSC(C)(C)C
InChIInChI=1S/C11H24N2OS/c1-5-12-7-6-8-13-10(14)9-15-11(2,3)4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyQQDNCHKHXAVCRS-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide (CID 43601582) is 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide is CCNCCCNC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide?
The InChIKey is QQDNCHKHXAVCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-12-7-6-8-13-10(14)9-15-11(2,3)4/h12H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide?
2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide has a molecular weight of 232.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[3-(ethylamino)propyl]acetamide is sourced from PubChem (CID 43601582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).