N-(3-sulfanylcyclobutyl)prop-2-enamide

C7H11NOS — CID 135183488

IUPACN-(3-sulfanylcyclobutyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(S)C1
InChIInChI=1S/C7H11NOS/c1-2-7(9)8-5-3-6(10)4-5/h2,5-6,10H,1,3-4H2,(H,8,9)
InChIKeyYYTYGCSCINHLLX-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.75
Rot. Bonds2

About N-(3-sulfanylcyclobutyl)prop-2-enamide

N-(3-sulfanylcyclobutyl)prop-2-enamide (PubChem CID 135183488) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is N-(3-sulfanylcyclobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-sulfanylcyclobutyl)prop-2-enamide
PubChem CID135183488
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC NameN-(3-sulfanylcyclobutyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(S)C1
InChIInChI=1S/C7H11NOS/c1-2-7(9)8-5-3-6(10)4-5/h2,5-6,10H,1,3-4H2,(H,8,9)
InChIKeyYYTYGCSCINHLLX-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclodecylprop-2-enamide
CID 18400354
N-(3-prop-1-ynylcyclobutyl)prop-2-enamide
CID 166968904
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide
CID 20727724
N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide
CID 146531618
N-(1-acetylazetidin-3-yl)prop-2-enamide
CID 131086103
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide
CID 58241585
cis-(1S,3R)-3-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 95362904
N-(4-aminocyclohexyl)prop-2-enamide;sulfane
CID 158384464
4-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60808068
N-[3-(aminomethyl)cyclopentyl]prop-2-enamide
CID 131166131
N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide
CID 164736276

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfanylcyclobutyl)prop-2-enamide?
The IUPAC name of N-(3-sulfanylcyclobutyl)prop-2-enamide (CID 135183488) is N-(3-sulfanylcyclobutyl)prop-2-enamide.
What is the SMILES notation for N-(3-sulfanylcyclobutyl)prop-2-enamide?
The canonical SMILES for N-(3-sulfanylcyclobutyl)prop-2-enamide is C=CC(=O)NC1CC(S)C1.
What is the InChIKey of N-(3-sulfanylcyclobutyl)prop-2-enamide?
The InChIKey is YYTYGCSCINHLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-2-7(9)8-5-3-6(10)4-5/h2,5-6,10H,1,3-4H2,(H,8,9).
What are the key properties of N-(3-sulfanylcyclobutyl)prop-2-enamide?
N-(3-sulfanylcyclobutyl)prop-2-enamide has a molecular weight of 157.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfanylcyclobutyl)prop-2-enamide is sourced from PubChem (CID 135183488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).