(2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone

C15H24N2O2S — CID 43367367

IUPAC(2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCCCCCCc1cc(C(=O)N2CCOCC2)c(N)s1
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-5-6-12-11-13(14(16)20-12)15(18)17-7-9-19-10-8-17/h11H,2-10,16H2,1H3
InChIKeyXIFOUJZFAIOOGK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.93
Rot. Bonds6

About (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone

(2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone (PubChem CID 43367367) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone
PubChem CID43367367
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCCCCCCc1cc(C(=O)N2CCOCC2)c(N)s1
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-5-6-12-11-13(14(16)20-12)15(18)17-7-9-19-10-8-17/h11H,2-10,16H2,1H3
InChIKeyXIFOUJZFAIOOGK-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone
CID 43367352
methyl 2-amino-5-octylthiophene-3-carboxylate
CID 72704993
tert-butyl 2-amino-5-decylthiophene-3-carboxylate
CID 21030833
2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide
CID 43367229
2-amino-5-propylthiophene-3-carbohydrazide
CID 42583185
(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
CID 117213589
[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
2-(butoxycarbonylamino)-5-octylthiophene-3-carboxylic acid
CID 22053892
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
2-(4,5-dioctadecyl-1,3-thiazol-3-ium-3-yl)-1-morpholin-4-ylethanone bromide
CID 22671537
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone (CID 43367367) is (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone is CCCCCCc1cc(C(=O)N2CCOCC2)c(N)s1.
What is the InChIKey of (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone?
The InChIKey is XIFOUJZFAIOOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-3-4-5-6-12-11-13(14(16)20-12)15(18)17-7-9-19-10-8-17/h11H,2-10,16H2,1H3.
What are the key properties of (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone?
(2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone has a molecular weight of 296.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 43367367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).