N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine

C14H25NS — CID 115882074

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine
SMILESC1CSCC(NCCC2CC3CCC2C3)C1
InChIInChI=1S/C14H25NS/c1-2-14(10-16-7-1)15-6-5-13-9-11-3-4-12(13)8-11/h11-15H,1-10H2
InChIKeyNQUSVLKDUQNDCC-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine (PubChem CID 115882074) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine
PubChem CID115882074
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine
SMILESC1CSCC(NCCC2CC3CCC2C3)C1
InChIInChI=1S/C14H25NS/c1-2-14(10-16-7-1)15-6-5-13-9-11-3-4-12(13)8-11/h11-15H,1-10H2
InChIKeyNQUSVLKDUQNDCC-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615304
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 116617709
Ethanethiol, 2-[(bicyclo[2.2.1]hept-2-ylmethyl)amino]-
CID 45098625
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylethanamine
CID 79551298
2-Bicyclo[2.2.1]heptanylmethyl(3-methylsulfanylpropyl)azanium
CID 168757912
2-Bicyclo[2.2.1]heptanylmethyl(2-sulfanylethyl)azanium
CID 168758000
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(3-methylpentan-3-ylsulfanyl)ethanamine
CID 169825531
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]thiolan-3-amine
CID 43178310
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43180626
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thian-4-amine
CID 43223182
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-4-amine
CID 43394821
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine
CID 43511508

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine (CID 115882074) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine is C1CSCC(NCCC2CC3CCC2C3)C1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine?
The InChIKey is NQUSVLKDUQNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-2-14(10-16-7-1)15-6-5-13-9-11-3-4-12(13)8-11/h11-15H,1-10H2.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine has a molecular weight of 239.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine is sourced from PubChem (CID 115882074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).