N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine

C17H21NS2 — CID 63689796

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine
SMILESc1csc(C(NCC2CC3CCC2C3)c2cccs2)c1
InChIInChI=1S/C17H21NS2/c1-3-15(19-7-1)17(16-4-2-8-20-16)18-11-14-10-12-5-6-13(14)9-12/h1-4,7-8,12-14,17-18H,5-6,9-11H2
InChIKeyZCJMQBWCRAENGI-UHFFFAOYSA-N
MW303.50 g/mol
LogP4.92
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine (PubChem CID 63689796) has the molecular formula C17H21NS2 and a molecular weight of 303.50 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine
PubChem CID63689796
Molecular FormulaC17H21NS2
Molecular Weight303.50 g/mol
Exact Mass303.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine
SMILESc1csc(C(NCC2CC3CCC2C3)c2cccs2)c1
InChIInChI=1S/C17H21NS2/c1-3-15(19-7-1)17(16-4-2-8-20-16)18-11-14-10-12-5-6-13(14)9-12/h1-4,7-8,12-14,17-18H,5-6,9-11H2
InChIKeyZCJMQBWCRAENGI-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-phenylmethanamine
CID 63682945
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
4-(2-bicyclo[2.2.1]heptanyl)-3-oxo-2-thiophen-2-ylbutanenitrile
CID 62502913
N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
CID 61365333
(1S,2R,4S)-N-(dithiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98872731
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64830997
4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol
CID 63688848
1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105167824
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83119895
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63682761
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285581

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine (CID 63689796) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine is c1csc(C(NCC2CC3CCC2C3)c2cccs2)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine?
The InChIKey is ZCJMQBWCRAENGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS2/c1-3-15(19-7-1)17(16-4-2-8-20-16)18-11-14-10-12-5-6-13(14)9-12/h1-4,7-8,12-14,17-18H,5-6,9-11H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine has a molecular weight of 303.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine is sourced from PubChem (CID 63689796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).