1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine

C15H24N2S — CID 114173711

IUPAC1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
SMILESCC(Cc1ccccc1)NCCN1CCSCC1
InChIInChI=1S/C15H24N2S/c1-14(13-15-5-3-2-4-6-15)16-7-8-17-9-11-18-12-10-17/h2-6,14,16H,7-13H2,1H3
InChIKeyMPCVXLOIJIDXPN-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.26
Rot. Bonds6

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

1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine (PubChem CID 114173711) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
PubChem CID114173711
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
SMILESCC(Cc1ccccc1)NCCN1CCSCC1
InChIInChI=1S/C15H24N2S/c1-14(13-15-5-3-2-4-6-15)16-7-8-17-9-11-18-12-10-17/h2-6,14,16H,7-13H2,1H3
InChIKeyMPCVXLOIJIDXPN-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine
CID 103783250
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325114
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
CID 107095351
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
CID 103914533
(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431
N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 104531158

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The IUPAC name of 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine (CID 114173711) is 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine.
What is the SMILES notation for 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The canonical SMILES for 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine is CC(Cc1ccccc1)NCCN1CCSCC1.
What is the InChIKey of 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The InChIKey is MPCVXLOIJIDXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-14(13-15-5-3-2-4-6-15)16-7-8-17-9-11-18-12-10-17/h2-6,14,16H,7-13H2,1H3.
What are the key properties of 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 114173711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).