N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide

C13H27N3O3S — CID 106091032

IUPACN-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCC2(OC)CCC2)CC1
InChIInChI=1S/C13H27N3O3S/c1-14-10-12-4-8-16(9-5-12)20(17,18)15-11-13(19-2)6-3-7-13/h12,14-15H,3-11H2,1-2H3
InChIKeyYOBNDXGWSJPVMM-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.32
Rot. Bonds7

About N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide

N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106091032) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106091032
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCC2(OC)CCC2)CC1
InChIInChI=1S/C13H27N3O3S/c1-14-10-12-4-8-16(9-5-12)20(17,18)15-11-13(19-2)6-3-7-13/h12,14-15H,3-11H2,1-2H3
InChIKeyYOBNDXGWSJPVMM-UHFFFAOYSA-N
XLogP0.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]piperidine-1-sulfonamide
CID 106090911
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087127
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073030
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
N-(3,3-dimethylcyclopentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 114552127
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978145
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106091032) is N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCC2(OC)CCC2)CC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is YOBNDXGWSJPVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-14-10-12-4-8-16(9-5-12)20(17,18)15-11-13(19-2)6-3-7-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106091032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).