N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide

C12H18N4OS — CID 10801728

IUPACN-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide
SMILESCN(C)Cc1ccc(CSCC/N=C/NC#N)o1
InChIInChI=1S/C12H18N4OS/c1-16(2)7-11-3-4-12(17-11)8-18-6-5-14-10-15-9-13/h3-4,10H,5-8H2,1-2H3,(H,14,15)
InChIKeyKUOBEYNMHGZBEB-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.67
Rot. Bonds8

About N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide

N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide (PubChem CID 10801728) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide.

Molecular Properties

Compound NameN-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide
PubChem CID10801728
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide
SMILESCN(C)Cc1ccc(CSCC/N=C/NC#N)o1
InChIInChI=1S/C12H18N4OS/c1-16(2)7-11-3-4-12(17-11)8-18-6-5-14-10-15-9-13/h3-4,10H,5-8H2,1-2H3,(H,14,15)
InChIKeyKUOBEYNMHGZBEB-UHFFFAOYSA-N
XLogP1.67
TPSA64.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

azane;1-[5-(ethylsulfanylmethyl)furan-2-yl]-N,N-dimethylmethanamine
CID 21285273
N,N-dimethyl-1-[5-[2-[(1-oxido-4-prop-2-ynylimino-1,2,5-thiadiazolidin-1-ium-3-ylidene)amino]ethylsulfanylmethyl]furan-2-yl]methanamine
CID 173416112
N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]methanimidamide;dihydrochloride
CID 23312556
3-N,4-N-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,2,5-oxadiazole-3,4-diamine
CID 14434275
2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-6-fluorobenzonitrile
CID 15005007
1-[5-(2-imidazolidin-1-ylethylsulfanylmethyl)furan-2-yl]-N,N-dimethylmethanamine
CID 67865220
1-[5-[2-[[1,1-dioxo-4-(2,2,2-trifluoroethylimino)-1,2,5-thiadiazolidin-3-ylidene]amino]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
CID 135849594
5-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,2,4-oxadiazole-3,5-diamine
CID 13486642
methyl N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate
CID 134132168
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-5-methylpyrimidin-2-amine
CID 72886323
1-N'-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]-1-N-methyl-2-nitroethene-1,1-diamine
CID 70573052
2-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile
CID 139601843

Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide?
The IUPAC name of N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide (CID 10801728) is N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide.
What is the SMILES notation for N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide?
The canonical SMILES for N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide is CN(C)Cc1ccc(CSCC/N=C/NC#N)o1.
What is the InChIKey of N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide?
The InChIKey is KUOBEYNMHGZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-16(2)7-11-3-4-12(17-11)8-18-6-5-14-10-15-9-13/h3-4,10H,5-8H2,1-2H3,(H,14,15).
What are the key properties of N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide?
N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide has a molecular weight of 266.37 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]methanimidamide is sourced from PubChem (CID 10801728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).