N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide

C11H22N2O3S — CID 115455401

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-10-2-6-13(7-3-10)17(15,16)12-8-11(9-14)4-5-11/h10,12,14H,2-9H2,1H3
InChIKeyGHUQJQMDYWASIZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.33
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 115455401) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
PubChem CID115455401
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-10-2-6-13(7-3-10)17(15,16)12-8-11(9-14)4-5-11/h10,12,14H,2-9H2,1H3
InChIKeyGHUQJQMDYWASIZ-UHFFFAOYSA-N
XLogP0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 115755605
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 65121840
4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide
CID 46958597
N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 103967074
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpiperidine-1-sulfonamide
CID 115362866
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
CID 115638619
3-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066819
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
CID 114008773
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide (CID 115455401) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCC2(CO)CC2)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is GHUQJQMDYWASIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10-2-6-13(7-3-10)17(15,16)12-8-11(9-14)4-5-11/h10,12,14H,2-9H2,1H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 115455401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).