2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide

C11H20N2OS — CID 106427791

IUPAC2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
SMILESC#CCSCCNC(=O)C(C)(CC)CN
InChIInChI=1S/C11H20N2OS/c1-4-7-15-8-6-13-10(14)11(3,5-2)9-12/h1H,5-9,12H2,2-3H3,(H,13,14)
InChIKeyYMOWJIODLRWFGY-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.84
Rot. Bonds7

About 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide

2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide (PubChem CID 106427791) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
PubChem CID106427791
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
SMILESC#CCSCCNC(=O)C(C)(CC)CN
InChIInChI=1S/C11H20N2OS/c1-4-7-15-8-6-13-10(14)11(3,5-2)9-12/h1H,5-9,12H2,2-3H3,(H,13,14)
InChIKeyYMOWJIODLRWFGY-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
CID 114187651
3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106428040
2-methyl-2-(2-prop-2-ynylsulfanylethylcarbamoylamino)butanoic acid
CID 106431208
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 114187562
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
CID 106427081
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
CID 103950288
2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide (CID 106427791) is 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide is C#CCSCCNC(=O)C(C)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide?
The InChIKey is YMOWJIODLRWFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-7-15-8-6-13-10(14)11(3,5-2)9-12/h1H,5-9,12H2,2-3H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide?
2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide has a molecular weight of 228.36 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide is sourced from PubChem (CID 106427791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).