N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine

C14H20N2S — CID 43281422

IUPACN-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
SMILESc1ccc(N2CCSCC2)c(CNC2CC2)c1
InChIInChI=1S/C14H20N2S/c1-2-4-14(16-7-9-17-10-8-16)12(3-1)11-15-13-5-6-13/h1-4,13,15H,5-11H2
InChIKeyVNVIQNIZZDNEJT-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.49
Rot. Bonds4

About N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine

N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine (PubChem CID 43281422) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
PubChem CID43281422
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
SMILESc1ccc(N2CCSCC2)c(CNC2CC2)c1
InChIInChI=1S/C14H20N2S/c1-2-4-14(16-7-9-17-10-8-16)12(3-1)11-15-13-5-6-13/h1-4,13,15H,5-11H2
InChIKeyVNVIQNIZZDNEJT-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
CID 63972921
4-[(2-morpholin-4-ylphenyl)methylamino]cyclohexan-1-ol
CID 110928598
1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol
CID 61434347
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535965
N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281437
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine
CID 43280580
N-[(4-thiomorpholin-4-ylquinolin-2-yl)methyl]cyclopropanamine
CID 63373997
2-[(thian-4-ylamino)methyl]phenol
CID 115603400
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
N-[(2-thiomorpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
CID 43478365
1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
CID 63787448
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine (CID 43281422) is N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine is c1ccc(N2CCSCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine?
The InChIKey is VNVIQNIZZDNEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-4-14(16-7-9-17-10-8-16)12(3-1)11-15-13-5-6-13/h1-4,13,15H,5-11H2.
What are the key properties of N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine?
N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine has a molecular weight of 248.39 g/mol, XLogP of 2.49, 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-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 43281422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).