N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine

C13H24N2S — CID 115886340

IUPACN-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC(CN1CCSCC1)NC1CC2CCC1C2
InChIInChI=1S/C13H24N2S/c1-2-12-9-11(1)10-13(12)14-3-4-15-5-7-16-8-6-15/h11-14H,1-10H2
InChIKeyWMNPFCUWTPSOBB-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.81
Rot. Bonds4

About N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine

N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115886340) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115886340
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC(CN1CCSCC1)NC1CC2CCC1C2
InChIInChI=1S/C13H24N2S/c1-2-12-9-11(1)10-13(12)14-3-4-15-5-7-16-8-6-15/h11-14H,1-10H2
InChIKeyWMNPFCUWTPSOBB-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 62573622
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol
CID 106325588
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 106324727
(1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine
CID 98108280
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 115886340) is N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is C(CN1CCSCC1)NC1CC2CCC1C2.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is WMNPFCUWTPSOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-12-9-11(1)10-13(12)14-3-4-15-5-7-16-8-6-15/h11-14H,1-10H2.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115886340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).