N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide

C17H20N2S2 — CID 90644565

IUPACN'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1cccc(CSC2CCCC2)c1)c1cccs1
InChIInChI=1S/C17H20N2S2/c18-17(16-9-4-10-20-16)19-14-6-3-5-13(11-14)12-21-15-7-1-2-8-15/h3-6,9-11,15H,1-2,7-8,12H2,(H2,18,19)
InChIKeyCZNOVFZVCWXLGM-UHFFFAOYSA-N
MW316.50 g/mol
LogP4.96
Rot. Bonds5

About N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide

N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide (PubChem CID 90644565) has the molecular formula C17H20N2S2 and a molecular weight of 316.50 g/mol. Its IUPAC name is N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide
PubChem CID90644565
Molecular FormulaC17H20N2S2
Molecular Weight316.50 g/mol
Exact Mass316.11
IUPAC NameN'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1cccc(CSC2CCCC2)c1)c1cccs1
InChIInChI=1S/C17H20N2S2/c18-17(16-9-4-10-20-16)19-14-6-3-5-13(11-14)12-21-15-7-1-2-8-15/h3-6,9-11,15H,1-2,7-8,12H2,(H2,18,19)
InChIKeyCZNOVFZVCWXLGM-UHFFFAOYSA-N
XLogP4.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-Biphenyl-3,3'-Diyldithiophene-2-Carboximidamide
CID 72725794
N,N'-(Ethane-1,2-Diyldibenzene-3,1-Diyl)dithiophene-2-Carboximidamide
CID 72725795
N-(3-{2-[(3-{[(Z)-Imino(Thiophen-2-Yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-Carboximidamide
CID 72725797
N-[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-Carboximidamide
CID 72725800
N-[3-({ethyl[2-(3-Fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-Carboximidamide
CID 72725801
N-(4-{2-[ethyl(3-{[(E)-Imino(Thiophen-2-Yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-Carboximidamide
CID 72725799
N-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide
CID 10524594
N'-[4-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260533
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45264499
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide
CID 45264975
N'-[3-[[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methyl]phenyl]thiophene-2-carboximidamide
CID 76325671

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide (CID 90644565) is N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide is N/C(=N\c1cccc(CSC2CCCC2)c1)c1cccs1.
What is the InChIKey of N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide?
The InChIKey is CZNOVFZVCWXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S2/c18-17(16-9-4-10-20-16)19-14-6-3-5-13(11-14)12-21-15-7-1-2-8-15/h3-6,9-11,15H,1-2,7-8,12H2,(H2,18,19).
What are the key properties of N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide?
N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide has a molecular weight of 316.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 90644565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).