2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide

C10H21N3OS — CID 155619104

IUPAC2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide
SMILESCNC(=S)CCNC(=O)CNC(C)(C)C
InChIInChI=1S/C10H21N3OS/c1-10(2,3)13-7-8(14)12-6-5-9(15)11-4/h13H,5-7H2,1-4H3,(H,11,15)(H,12,14)
InChIKeyQFTROCXHAQBEBW-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.43
Rot. Bonds5

About 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide

2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide (PubChem CID 155619104) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide
PubChem CID155619104
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide
SMILESCNC(=S)CCNC(=O)CNC(C)(C)C
InChIInChI=1S/C10H21N3OS/c1-10(2,3)13-7-8(14)12-6-5-9(15)11-4/h13H,5-7H2,1-4H3,(H,11,15)(H,12,14)
InChIKeyQFTROCXHAQBEBW-UHFFFAOYSA-N
XLogP0.43
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide (CID 155619104) is 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide is CNC(=S)CCNC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide?
The InChIKey is QFTROCXHAQBEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-10(2,3)13-7-8(14)12-6-5-9(15)11-4/h13H,5-7H2,1-4H3,(H,11,15)(H,12,14).
What are the key properties of 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide?
2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide has a molecular weight of 231.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide is sourced from PubChem (CID 155619104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).