N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine

C12H26N2O2S — CID 63878962

IUPACN-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
SMILESCCCCS(=O)(=O)N1CCC(CNCC)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-5-10-17(15,16)14-8-6-12(7-9-14)11-13-4-2/h12-13H,3-11H2,1-2H3
InChIKeyZIKBGPXOJVECFT-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.44
Rot. Bonds7

About N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine

N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine (PubChem CID 63878962) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
PubChem CID63878962
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
SMILESCCCCS(=O)(=O)N1CCC(CNCC)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-5-10-17(15,16)14-8-6-12(7-9-14)11-13-4-2/h12-13H,3-11H2,1-2H3
InChIKeyZIKBGPXOJVECFT-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508
methyl 4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoate
CID 80552640
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878755
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990742
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978040
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine (CID 63878962) is N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine is CCCCS(=O)(=O)N1CCC(CNCC)CC1.
What is the InChIKey of N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is ZIKBGPXOJVECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-5-10-17(15,16)14-8-6-12(7-9-14)11-13-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine?
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 262.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 63878962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).