N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide

C12H26N2O2S — CID 62691627

IUPACN-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
SMILESCCC(C)CNS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C12H26N2O2S/c1-3-11(2)10-14-17(15,16)9-6-12-4-7-13-8-5-12/h11-14H,3-10H2,1-2H3
InChIKeyQYMMRPNELLUUTO-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.34
Rot. Bonds7

About N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide

N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 62691627) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
PubChem CID62691627
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
SMILESCCC(C)CNS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C12H26N2O2S/c1-3-11(2)10-14-17(15,16)9-6-12-4-7-13-8-5-12/h11-14H,3-10H2,1-2H3
InChIKeyQYMMRPNELLUUTO-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
2-(2-piperidin-4-ylethylsulfonylamino)propanamide
CID 60893069
N-(2-methylbutyl)ethanesulfonamide
CID 64584156
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide
CID 83144358
N-tert-butyl-2-(2-piperidin-4-ylethylsulfonylamino)acetamide
CID 115356414
2-chloro-N-(2-methylbutyl)ethanesulfonamide
CID 107651892
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
3-amino-N-(2-methylbutyl)propane-1-sulfonamide
CID 62694759
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 62992029
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
5-methyl-1-piperidin-4-ylheptan-3-one
CID 116563326

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide (CID 62691627) is N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide is CCC(C)CNS(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is QYMMRPNELLUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-11(2)10-14-17(15,16)9-6-12-4-7-13-8-5-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide?
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 62691627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).