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

C16H26N2S — CID 103783250

IUPAC1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine
SMILESCCC(Cc1ccccc1)NCCN1CCSCC1
InChIInChI=1S/C16H26N2S/c1-2-16(14-15-6-4-3-5-7-15)17-8-9-18-10-12-19-13-11-18/h3-7,16-17H,2,8-14H2,1H3
InChIKeyRSOQHVJCEBQVRV-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.65
Rot. Bonds7

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

1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine (PubChem CID 103783250) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine
PubChem CID103783250
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine
SMILESCCC(Cc1ccccc1)NCCN1CCSCC1
InChIInChI=1S/C16H26N2S/c1-2-16(14-15-6-4-3-5-7-15)17-8-9-18-10-12-19-13-11-18/h3-7,16-17H,2,8-14H2,1H3
InChIKeyRSOQHVJCEBQVRV-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
2-[2-(4-methylpiperazin-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 82889725
N-(2-thiomorpholin-4-ylethyl)heptan-3-amine
CID 115719254
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
CID 103914533
1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 79007188
(2R)-2-(2-morpholin-4-ylethylamino)-3-phenylpropan-1-ol
CID 66961586
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325114
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
CID 79008482
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine?
The IUPAC name of 1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine (CID 103783250) is 1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine.
What is the SMILES notation for 1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine?
The canonical SMILES for 1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine is CCC(Cc1ccccc1)NCCN1CCSCC1.
What is the InChIKey of 1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine?
The InChIKey is RSOQHVJCEBQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-16(14-15-6-4-3-5-7-15)17-8-9-18-10-12-19-13-11-18/h3-7,16-17H,2,8-14H2,1H3.
What are the key properties of 1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine?
1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 2.65, 7 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)butan-2-amine is sourced from PubChem (CID 103783250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).