[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine

C14H21ClN2O3S — CID 106590007

IUPAC[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine
SMILESCOCC1CCCN(S(=O)(=O)c2cc(CN)ccc2Cl)C1
InChIInChI=1S/C14H21ClN2O3S/c1-20-10-12-3-2-6-17(9-12)21(18,19)14-7-11(8-16)4-5-13(14)15/h4-5,7,12H,2-3,6,8-10,16H2,1H3
InChIKeyUEDVCDDHRHSSLU-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.85
Rot. Bonds5

About [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine

[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine (PubChem CID 106590007) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine
PubChem CID106590007
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine
SMILESCOCC1CCCN(S(=O)(=O)c2cc(CN)ccc2Cl)C1
InChIInChI=1S/C14H21ClN2O3S/c1-20-10-12-3-2-6-17(9-12)21(18,19)14-7-11(8-16)4-5-13(14)15/h4-5,7,12H,2-3,6,8-10,16H2,1H3
InChIKeyUEDVCDDHRHSSLU-UHFFFAOYSA-N
XLogP1.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
4-chloro-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 64569842
3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727112
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine
CID 106590010
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952
[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971958
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine?
The IUPAC name of [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine (CID 106590007) is [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine.
What is the SMILES notation for [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine?
The canonical SMILES for [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine is COCC1CCCN(S(=O)(=O)c2cc(CN)ccc2Cl)C1.
What is the InChIKey of [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine?
The InChIKey is UEDVCDDHRHSSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-20-10-12-3-2-6-17(9-12)21(18,19)14-7-11(8-16)4-5-13(14)15/h4-5,7,12H,2-3,6,8-10,16H2,1H3.
What are the key properties of [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine?
[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine has a molecular weight of 332.85 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine is sourced from PubChem (CID 106590007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).