4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine

C12H26N2O2S — CID 103495198

IUPAC4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
SMILESCC(C)C1CCN(S(=O)(=O)CCCCN)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)12-5-8-14(9-6-12)17(15,16)10-4-3-7-13/h11-12H,3-10,13H2,1-2H3
InChIKeyRTFYZORIQFPGFA-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.42
Rot. Bonds6

About 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine

4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine (PubChem CID 103495198) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
PubChem CID103495198
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
SMILESCC(C)C1CCN(S(=O)(=O)CCCCN)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)12-5-8-14(9-6-12)17(15,16)10-4-3-7-13/h11-12H,3-10,13H2,1-2H3
InChIKeyRTFYZORIQFPGFA-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine (CID 103495198) is 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine is CC(C)C1CCN(S(=O)(=O)CCCCN)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine?
The InChIKey is RTFYZORIQFPGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)12-5-8-14(9-6-12)17(15,16)10-4-3-7-13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine?
4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine is sourced from PubChem (CID 103495198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).