2-(butylamino)-1-thiomorpholin-4-ylethanone

C10H20N2OS — CID 66548655

IUPAC2-(butylamino)-1-thiomorpholin-4-ylethanone
SMILESCCCCNCC(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-2-3-4-11-9-10(13)12-5-7-14-8-6-12/h11H,2-9H2,1H3
InChIKeyLKTLPIDTDVPJSI-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.95
Rot. Bonds5

About 2-(butylamino)-1-thiomorpholin-4-ylethanone

2-(butylamino)-1-thiomorpholin-4-ylethanone (PubChem CID 66548655) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(butylamino)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(butylamino)-1-thiomorpholin-4-ylethanone
PubChem CID66548655
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(butylamino)-1-thiomorpholin-4-ylethanone
SMILESCCCCNCC(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-2-3-4-11-9-10(13)12-5-7-14-8-6-12/h11H,2-9H2,1H3
InChIKeyLKTLPIDTDVPJSI-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.95
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

CID 53383075
CID 53383075
CID 53383078
CID 53383078
CID 115683629
CID 115683629
CID 53516133
CID 53516133
CID 53523746
CID 53523746
CID 172438065
CID 172438065
CID 82506609
CID 82506609
CID 53383073
CID 53383073
CID 177681367
CID 177681367
CID 129076723
CID 129076723
CID 53518579
CID 53518579
CID 71941303
CID 71941303

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(butylamino)-1-thiomorpholin-4-ylethanone (CID 66548655) is 2-(butylamino)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(butylamino)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(butylamino)-1-thiomorpholin-4-ylethanone is CCCCNCC(=O)N1CCSCC1.
What is the InChIKey of 2-(butylamino)-1-thiomorpholin-4-ylethanone?
The InChIKey is LKTLPIDTDVPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-3-4-11-9-10(13)12-5-7-14-8-6-12/h11H,2-9H2,1H3.
What are the key properties of 2-(butylamino)-1-thiomorpholin-4-ylethanone?
2-(butylamino)-1-thiomorpholin-4-ylethanone has a molecular weight of 216.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 66548655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).