2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide

C10H18N2OS — CID 106427911

IUPAC2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
SMILESC#CCSCCNC(=O)C(C)CNC
InChIInChI=1S/C10H18N2OS/c1-4-6-14-7-5-12-10(13)9(2)8-11-3/h1,9,11H,5-8H2,2-3H3,(H,12,13)
InChIKeyPGEJRKJDOASASJ-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.32
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide

2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide (PubChem CID 106427911) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
PubChem CID106427911
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
SMILESC#CCSCCNC(=O)C(C)CNC
InChIInChI=1S/C10H18N2OS/c1-4-6-14-7-5-12-10(13)9(2)8-11-3/h1,9,11H,5-8H2,2-3H3,(H,12,13)
InChIKeyPGEJRKJDOASASJ-UHFFFAOYSA-N
XLogP0.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.32
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-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide
CID 79202458
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
CID 106428869
3-methoxy-2-(2-prop-2-ynylsulfanylethylcarbamoylamino)propanoic acid
CID 106431055
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
CID 103950288
1-methyl-3-(2-prop-2-ynylsulfanylethyl)thiourea
CID 131206851
2-methyl-6-(2-prop-2-ynylsulfanylethylcarbamoylamino)heptanoic acid
CID 106431110
N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
CID 106427081
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
methyl 2-(2-prop-2-ynylsulfanylethylamino)propanoate
CID 106426518
5-(2-prop-2-ynylsulfanylethylcarbamoylamino)hexanoic acid
CID 106430987
2-methyl-2-(2-prop-2-ynylsulfanylethylcarbamoylamino)butanoic acid
CID 106431208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide (CID 106427911) is 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide is C#CCSCCNC(=O)C(C)CNC.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide?
The InChIKey is PGEJRKJDOASASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-6-14-7-5-12-10(13)9(2)8-11-3/h1,9,11H,5-8H2,2-3H3,(H,12,13).
What are the key properties of 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide?
2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide has a molecular weight of 214.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide is sourced from PubChem (CID 106427911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).