N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide

C11H21NOS — CID 89088589

IUPACN-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)CSC(C)(C)C
InChIInChI=1S/C11H21NOS/c1-8(2)10(13)12-9(3)7-14-11(4,5)6/h9H,1,7H2,2-6H3,(H,12,13)
InChIKeyKVRIZVJYGSLIHU-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.60
Rot. Bonds4

About N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide

N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide (PubChem CID 89088589) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide
PubChem CID89088589
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)CSC(C)(C)C
InChIInChI=1S/C11H21NOS/c1-8(2)10(13)12-9(3)7-14-11(4,5)6/h9H,1,7H2,2-6H3,(H,12,13)
InChIKeyKVRIZVJYGSLIHU-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943537
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
1-tert-butylsulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 115894013
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide
CID 139973186
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide
CID 139655138
N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 139776232
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 3-tert-butylsulfanyl-2-methylpropanoate
CID 155346560
(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine
CID 105226584

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide (CID 89088589) is N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)CSC(C)(C)C.
What is the InChIKey of N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide?
The InChIKey is KVRIZVJYGSLIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8(2)10(13)12-9(3)7-14-11(4,5)6/h9H,1,7H2,2-6H3,(H,12,13).
What are the key properties of N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide?
N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide has a molecular weight of 215.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 89088589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).