2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide

C11H20N2OS — CID 76892115

IUPAC2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(N)CCSC
InChIInChI=1S/C11H20N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h4-5,10H,1-2,6-9,12H2,3H3
InChIKeyNGZBETMVAPPMRK-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.27
Rot. Bonds8

About 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide

2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide (PubChem CID 76892115) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
PubChem CID76892115
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(N)CCSC
InChIInChI=1S/C11H20N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h4-5,10H,1-2,6-9,12H2,3H3
InChIKeyNGZBETMVAPPMRK-UHFFFAOYSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 86346309
2-amino-3-methoxy-N,N-bis(prop-2-enyl)propanamide
CID 81081149
2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
CID 107570062
(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
CID 104907780
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide
CID 115775499
(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide
CID 87308343
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide (CID 76892115) is 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)C(N)CCSC.
What is the InChIKey of 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is NGZBETMVAPPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h4-5,10H,1-2,6-9,12H2,3H3.
What are the key properties of 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide?
2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 228.36 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 76892115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).