1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine

C14H21ClN2S — CID 55015329

IUPAC1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
SMILESCCC(N)C(c1ccc(Cl)cc1)N1CCSCC1
InChIInChI=1S/C14H21ClN2S/c1-2-13(16)14(17-7-9-18-10-8-17)11-3-5-12(15)6-4-11/h3-6,13-14H,2,7-10,16H2,1H3
InChIKeyURBSHPVPHTXJQL-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine

1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine (PubChem CID 55015329) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
PubChem CID55015329
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
SMILESCCC(N)C(c1ccc(Cl)cc1)N1CCSCC1
InChIInChI=1S/C14H21ClN2S/c1-2-13(16)14(17-7-9-18-10-8-17)11-3-5-12(15)6-4-11/h3-6,13-14H,2,7-10,16H2,1H3
InChIKeyURBSHPVPHTXJQL-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine (CID 55015329) is 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine is CCC(N)C(c1ccc(Cl)cc1)N1CCSCC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine?
The InChIKey is URBSHPVPHTXJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-2-13(16)14(17-7-9-18-10-8-17)11-3-5-12(15)6-4-11/h3-6,13-14H,2,7-10,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine?
1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine has a molecular weight of 284.86 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine is sourced from PubChem (CID 55015329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).