N-(4-aminocyclohexyl)prop-2-enamide;sulfane

C9H20N2OS2 — CID 158384464

IUPACN-(4-aminocyclohexyl)prop-2-enamide;sulfane
SMILESC=CC(=O)NC1CCC(N)CC1.S.S
InChIInChI=1S/C9H16N2O.2H2S/c1-2-9(12)11-8-5-3-7(10)4-6-8;;/h2,7-8H,1,3-6,10H2,(H,11,12);2*1H2
InChIKeyGWEWBUDTMJRCGT-UHFFFAOYSA-N
MW236.41 g/mol
LogP0.78
Rot. Bonds2

About N-(4-aminocyclohexyl)prop-2-enamide;sulfane

N-(4-aminocyclohexyl)prop-2-enamide;sulfane (PubChem CID 158384464) has the molecular formula C9H20N2OS2 and a molecular weight of 236.41 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)prop-2-enamide;sulfane.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)prop-2-enamide;sulfane
PubChem CID158384464
Molecular FormulaC9H20N2OS2
Molecular Weight236.41 g/mol
Exact Mass236.10
IUPAC NameN-(4-aminocyclohexyl)prop-2-enamide;sulfane
SMILESC=CC(=O)NC1CCC(N)CC1.S.S
InChIInChI=1S/C9H16N2O.2H2S/c1-2-9(12)11-8-5-3-7(10)4-6-8;;/h2,7-8H,1,3-6,10H2,(H,11,12);2*1H2
InChIKeyGWEWBUDTMJRCGT-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.41
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N-(4-prop-2-enylcyclohexyl)prop-2-enamide
CID 144952978
N-cyclodecylprop-2-enamide
CID 18400354
4-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60808068
N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
CID 130426855
N-[3-(aminomethyl)cyclopentyl]prop-2-enamide
CID 131166131
N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
CID 134246443
N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 119475517
N-(4-aminocyclohexyl)hex-5-enamide
CID 119478568
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]prop-2-enamide
CID 43700635
N-(azepan-4-yl)prop-2-enamide
CID 107172224
N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide
CID 58241585

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)prop-2-enamide;sulfane?
The IUPAC name of N-(4-aminocyclohexyl)prop-2-enamide;sulfane (CID 158384464) is N-(4-aminocyclohexyl)prop-2-enamide;sulfane.
What is the SMILES notation for N-(4-aminocyclohexyl)prop-2-enamide;sulfane?
The canonical SMILES for N-(4-aminocyclohexyl)prop-2-enamide;sulfane is C=CC(=O)NC1CCC(N)CC1.S.S.
What is the InChIKey of N-(4-aminocyclohexyl)prop-2-enamide;sulfane?
The InChIKey is GWEWBUDTMJRCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.2H2S/c1-2-9(12)11-8-5-3-7(10)4-6-8;;/h2,7-8H,1,3-6,10H2,(H,11,12);2*1H2.
What are the key properties of N-(4-aminocyclohexyl)prop-2-enamide;sulfane?
N-(4-aminocyclohexyl)prop-2-enamide;sulfane has a molecular weight of 236.41 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)prop-2-enamide;sulfane is sourced from PubChem (CID 158384464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).