2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide

C10H18N2OS — CID 112659346

IUPAC2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)N(C)C(C)CSC
InChIInChI=1S/C10H18N2OS/c1-5-6-9(11)10(13)12(3)8(2)7-14-4/h1,8-9H,6-7,11H2,2-4H3
InChIKeyWEYAUXFQGUAFSN-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.55
Rot. Bonds5

About 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide

2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide (PubChem CID 112659346) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide
PubChem CID112659346
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)N(C)C(C)CSC
InChIInChI=1S/C10H18N2OS/c1-5-6-9(11)10(13)12(3)8(2)7-14-4/h1,8-9H,6-7,11H2,2-4H3
InChIKeyWEYAUXFQGUAFSN-UHFFFAOYSA-N
XLogP0.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-hydroxy-N-methylpent-4-ynamide
CID 130884466
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide
CID 103101958
2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide
CID 112659658
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659073
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
ethyl 3,3-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]butanoate
CID 116538257
2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide
CID 60939070

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide?
The IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide (CID 112659346) is 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide?
The canonical SMILES for 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide is C#CCC(N)C(=O)N(C)C(C)CSC.
What is the InChIKey of 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide?
The InChIKey is WEYAUXFQGUAFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-5-6-9(11)10(13)12(3)8(2)7-14-4/h1,8-9H,6-7,11H2,2-4H3.
What are the key properties of 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide?
2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide has a molecular weight of 214.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide is sourced from PubChem (CID 112659346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).