N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine

C15H24N2S — CID 62121009

IUPACN-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1N1CCSCC1
InChIInChI=1S/C15H24N2S/c1-12(2)16-11-14-4-5-15(13(3)10-14)17-6-8-18-9-7-17/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeySQXNJDDDIFBRJB-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.05
Rot. Bonds4

About N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine

N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine (PubChem CID 62121009) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine
PubChem CID62121009
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1N1CCSCC1
InChIInChI=1S/C15H24N2S/c1-12(2)16-11-14-4-5-15(13(3)10-14)17-6-8-18-9-7-17/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeySQXNJDDDIFBRJB-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidine-4-carboxamide
CID 62121170
N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 80629574
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine
CID 63635862
N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 55040210
[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
CID 62120166
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
N-[[4-(azepan-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63061231
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine
CID 64575732
N-[[5-fluoro-2-(1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 61419095
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine (CID 62121009) is N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1N1CCSCC1.
What is the InChIKey of N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine?
The InChIKey is SQXNJDDDIFBRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12(2)16-11-14-4-5-15(13(3)10-14)17-6-8-18-9-7-17/h4-5,10,12,16H,6-9,11H2,1-3H3.
What are the key properties of N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine?
N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 62121009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).