N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine

C13H23NS — CID 62734121

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
SMILESC1CC(NCC2CC3CCC2C3)CCS1
InChIInChI=1S/C13H23NS/c1-2-11-7-10(1)8-12(11)9-14-13-3-5-15-6-4-13/h10-14H,1-9H2
InChIKeyUCCQPKDERRATFG-UHFFFAOYSA-N
MW225.40 g/mol
LogP2.91
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine (PubChem CID 62734121) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
PubChem CID62734121
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
SMILESC1CC(NCC2CC3CCC2C3)CCS1
InChIInChI=1S/C13H23NS/c1-2-11-7-10(1)8-12(11)9-14-13-3-5-15-6-4-13/h10-14H,1-9H2
InChIKeyUCCQPKDERRATFG-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethylpiperidin-4-amine
CID 55232032
trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
CID 130978957
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780287
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63682089
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine
CID 115882074
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine
CID 115337616
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
CID 63506248
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine (CID 62734121) is N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine is C1CC(NCC2CC3CCC2C3)CCS1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine?
The InChIKey is UCCQPKDERRATFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-2-11-7-10(1)8-12(11)9-14-13-3-5-15-6-4-13/h10-14H,1-9H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine has a molecular weight of 225.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine is sourced from PubChem (CID 62734121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).