3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide

C10H18N2OS — CID 106428040

IUPAC3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
SMILESC#CCSCCNC(=O)CC(C)(C)N
InChIInChI=1S/C10H18N2OS/c1-4-6-14-7-5-12-9(13)8-10(2,3)11/h1H,5-8,11H2,2-3H3,(H,12,13)
InChIKeyGNQHBQMXUFKODZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.60
Rot. Bonds6

About 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide

3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide (PubChem CID 106428040) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
PubChem CID106428040
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
SMILESC#CCSCCNC(=O)CC(C)(C)N
InChIInChI=1S/C10H18N2OS/c1-4-6-14-7-5-12-9(13)8-10(2,3)11/h1H,5-8,11H2,2-3H3,(H,12,13)
InChIKeyGNQHBQMXUFKODZ-UHFFFAOYSA-N
XLogP0.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.60
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-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 114187562
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427791
3-hydroxy-3-methyl-4-(2-prop-2-ynylsulfanylethylcarbamoylamino)butanoic acid
CID 114187991
2-methyl-2-(2-prop-2-ynylsulfanylethylcarbamoylamino)butanoic acid
CID 106431208
2,2-dimethyl-3-(2-prop-2-ynylsulfanylethylamino)propanoic acid
CID 106428755
N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
CID 106427081
2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427911
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
CID 103950288
3-(2-prop-2-ynylsulfanylethylcarbamoylamino)propanoic acid
CID 106431182
3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
CID 64677680

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide (CID 106428040) is 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide is C#CCSCCNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide?
The InChIKey is GNQHBQMXUFKODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-6-14-7-5-12-9(13)8-10(2,3)11/h1H,5-8,11H2,2-3H3,(H,12,13).
What are the key properties of 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide?
3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide has a molecular weight of 214.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide is sourced from PubChem (CID 106428040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).