[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride

C13H20Cl2N2O2S — CID 119969227

IUPAC[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c14-13-7-2-1-5-11(13)10-19(17,18)16-8-4-3-6-12(16)9-15;/h1-2,5,7,12H,3-4,6,8-10,15H2;1H
InChIKeyDNPWCUASDZBXKN-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.40
Rot. Bonds4

About [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride

[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119969227) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119969227
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c14-13-7-2-1-5-11(13)10-19(17,18)16-8-4-3-6-12(16)9-15;/h1-2,5,7,12H,3-4,6,8-10,15H2;1H
InChIKeyDNPWCUASDZBXKN-UHFFFAOYSA-N
XLogP2.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
CID 119969410
[1-[(2-aminophenyl)methylsulfonyl]azepan-2-yl]methanol
CID 116633902
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62886268
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride (CID 119969227) is [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is DNPWCUASDZBXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S.ClH/c14-13-7-2-1-5-11(13)10-19(17,18)16-8-4-3-6-12(16)9-15;/h1-2,5,7,12H,3-4,6,8-10,15H2;1H.
What are the key properties of [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).