N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine

C12H26N2O2S — CID 91159893

IUPACN,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine
SMILESCN(C)C(C)(C)CCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-12(2,13(3)4)8-11-17(15,16)14-9-6-5-7-10-14/h5-11H2,1-4H3
InChIKeyDMNQDMRNUBIABZ-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.53
Rot. Bonds5

About N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine

N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine (PubChem CID 91159893) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine
PubChem CID91159893
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine
SMILESCN(C)C(C)(C)CCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-12(2,13(3)4)8-11-17(15,16)14-9-6-5-7-10-14/h5-11H2,1-4H3
InChIKeyDMNQDMRNUBIABZ-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine?
The IUPAC name of N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine (CID 91159893) is N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine?
The canonical SMILES for N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine is CN(C)C(C)(C)CCS(=O)(=O)N1CCCCC1.
What is the InChIKey of N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine?
The InChIKey is DMNQDMRNUBIABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2,13(3)4)8-11-17(15,16)14-9-6-5-7-10-14/h5-11H2,1-4H3.
What are the key properties of N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine?
N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine has a molecular weight of 262.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-piperidin-1-ylsulfonylbutan-2-amine is sourced from PubChem (CID 91159893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).