N-tert-butylprop-2-enamide;sulfane

C7H15NOS — CID 158648389

IUPACN-tert-butylprop-2-enamide;sulfane
SMILESC=CC(=O)NC(C)(C)C.S
InChIInChI=1S/C7H13NO.H2S/c1-5-6(9)8-7(2,3)4;/h5H,1H2,2-4H3,(H,8,9);1H2
InChIKeyMUSVZCCMHBWLQD-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.20
Rot. Bonds1

About N-tert-butylprop-2-enamide;sulfane

N-tert-butylprop-2-enamide;sulfane (PubChem CID 158648389) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide;sulfane.

Molecular Properties

Compound NameN-tert-butylprop-2-enamide;sulfane
PubChem CID158648389
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-tert-butylprop-2-enamide;sulfane
SMILESC=CC(=O)NC(C)(C)C.S
InChIInChI=1S/C7H13NO.H2S/c1-5-6(9)8-7(2,3)4;/h5H,1H2,2-4H3,(H,8,9);1H2
InChIKeyMUSVZCCMHBWLQD-UHFFFAOYSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite
CID 175485708
N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide
CID 159233646
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
CID 130949338
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
CID 11775668
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
CID 18920614
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947

Frequently Asked Questions

What is the IUPAC name of N-tert-butylprop-2-enamide;sulfane?
The IUPAC name of N-tert-butylprop-2-enamide;sulfane (CID 158648389) is N-tert-butylprop-2-enamide;sulfane.
What is the SMILES notation for N-tert-butylprop-2-enamide;sulfane?
The canonical SMILES for N-tert-butylprop-2-enamide;sulfane is C=CC(=O)NC(C)(C)C.S.
What is the InChIKey of N-tert-butylprop-2-enamide;sulfane?
The InChIKey is MUSVZCCMHBWLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.H2S/c1-5-6(9)8-7(2,3)4;/h5H,1H2,2-4H3,(H,8,9);1H2.
What are the key properties of N-tert-butylprop-2-enamide;sulfane?
N-tert-butylprop-2-enamide;sulfane has a molecular weight of 161.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylprop-2-enamide;sulfane is sourced from PubChem (CID 158648389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).