N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide

C12H26N2O3S — CID 61448219

IUPACN-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H26N2O3S/c1-3-4-7-13(9-10-15)18(16,17)14-8-5-6-12(2)11-14/h12,15H,3-11H2,1-2H3
InChIKeyCTDQDQPTPDMROO-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.06
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide

N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 61448219) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
PubChem CID61448219
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H26N2O3S/c1-3-4-7-13(9-10-15)18(16,17)14-8-5-6-12(2)11-14/h12,15H,3-11H2,1-2H3
InChIKeyCTDQDQPTPDMROO-UHFFFAOYSA-N
XLogP1.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929
methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 54942106
3-hydroxy-N,N-dipropylpiperidine-1-sulfonamide
CID 43502985
2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 63066424
ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 61448316
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
N-(2-hydroxyethyl)-2-methyl-N-propylpiperidine-1-sulfonamide
CID 61425514
3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 63285443
N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 66214864
N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide (CID 61448219) is N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide is CCCCN(CCO)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is CTDQDQPTPDMROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-4-7-13(9-10-15)18(16,17)14-8-5-6-12(2)11-14/h12,15H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide?
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61448219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).