1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine

C13H27N3O3S — CID 70845145

IUPAC1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C13H27N3O3S/c1-20(17,18)16-7-3-13(4-8-16)14-5-2-6-15-9-11-19-12-10-15/h13-14H,2-12H2,1H3
InChIKeyPRXNLUKDJBMJBT-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.28
Rot. Bonds6

About 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine

1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine (PubChem CID 70845145) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
PubChem CID70845145
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C13H27N3O3S/c1-20(17,18)16-7-3-13(4-8-16)14-5-2-6-15-9-11-19-12-10-15/h13-14H,2-12H2,1H3
InChIKeyPRXNLUKDJBMJBT-UHFFFAOYSA-N
XLogP-0.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine (CID 70845145) is 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine is CS(=O)(=O)N1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The InChIKey is PRXNLUKDJBMJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-20(17,18)16-7-3-13(4-8-16)14-5-2-6-15-9-11-19-12-10-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine has a molecular weight of 305.44 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 70845145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).