(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide

C11H20N2OS — CID 104908902

IUPAC(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide
SMILESC#CCN(CCC)C(=O)[C@H](N)CCSC
InChIInChI=1S/C11H20N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h1,10H,5-9,12H2,2-3H3/t10-/m1/s1
InChIKeyMSEZIVCIDKFEOS-SNVBAGLBSA-N
MW228.36 g/mol
LogP0.94
Rot. Bonds7

About (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide

(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide (PubChem CID 104908902) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide
PubChem CID104908902
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide
SMILESC#CCN(CCC)C(=O)[C@H](N)CCSC
InChIInChI=1S/C11H20N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h1,10H,5-9,12H2,2-3H3/t10-/m1/s1
InChIKeyMSEZIVCIDKFEOS-SNVBAGLBSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.94
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

(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide
CID 107033460
(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
CID 104907780
(2R)-4-methylsulfanyl-2-[[propyl(prop-2-ynyl)carbamoyl]amino]butanoic acid
CID 104910508
(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
CID 13324355
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
CID 76892115
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 142536844
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide (CID 104908902) is (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide is C#CCN(CCC)C(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide?
The InChIKey is MSEZIVCIDKFEOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h1,10H,5-9,12H2,2-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide?
(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide has a molecular weight of 228.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide is sourced from PubChem (CID 104908902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).