3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine

C16H26N2S — CID 107095351

IUPAC3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
SMILESCC(CCNCCN1CCSCC1)c1ccccc1
InChIInChI=1S/C16H26N2S/c1-15(16-5-3-2-4-6-16)7-8-17-9-10-18-11-13-19-14-12-18/h2-6,15,17H,7-14H2,1H3
InChIKeyOWVQQNVSUQDZIS-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.82
Rot. Bonds7

About 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine

3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine (PubChem CID 107095351) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
PubChem CID107095351
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
SMILESCC(CCNCCN1CCSCC1)c1ccccc1
InChIInChI=1S/C16H26N2S/c1-15(16-5-3-2-4-6-16)7-8-17-9-10-18-11-13-19-14-12-18/h2-6,15,17H,7-14H2,1H3
InChIKeyOWVQQNVSUQDZIS-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
N-[[3-(difluoromethyl)phenyl]methyl]-2-thiomorpholin-4-ylethanamine
CID 106324814
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 119853604
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995
N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylbutan-1-amine
CID 107094689
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 63896874
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
1-[2-(3-phenylbutylamino)ethyl]triazole-4-carboxylic acid
CID 103250697
N-ethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62612136

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The IUPAC name of 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine (CID 107095351) is 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The canonical SMILES for 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine is CC(CCNCCN1CCSCC1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The InChIKey is OWVQQNVSUQDZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-15(16-5-3-2-4-6-16)7-8-17-9-10-18-11-13-19-14-12-18/h2-6,15,17H,7-14H2,1H3.
What are the key properties of 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 107095351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).