4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride

C6H15ClN2O2S — CID 162383208

IUPAC4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
SMILESCl.[2H]C1(N)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H/i6D;
InChIKeyBASBDQBWDDKEDK-FNZLVDGMSA-N
MW215.72 g/mol
LogP-0.21
Rot. Bonds1

About 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride

4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 162383208) has the molecular formula C6H15ClN2O2S and a molecular weight of 215.72 g/mol. Its IUPAC name is 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID162383208
Molecular FormulaC6H15ClN2O2S
Molecular Weight215.72 g/mol
Exact Mass215.06
IUPAC Name4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
SMILESCl.[2H]C1(N)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H/i6D;
InChIKeyBASBDQBWDDKEDK-FNZLVDGMSA-N
XLogP-0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
1-methylsulfonylpiperidine-4-thiol
CID 130490648
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
3-methyl-1-methylsulfonylpiperidin-4-amine
CID 67385582
2-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 67053473
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine
CID 171582016
(1-methylsulfonylpiperidin-4-yl)methanesulfinamide
CID 165452712
1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine
CID 58297307
4-(1-methylcyclopropyl)-1-methylsulfonylpiperidine
CID 58054117
1-methylsulfonylpyrrolidin-3-ol
CID 20745843

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride (CID 162383208) is 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride is Cl.[2H]C1(N)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is BASBDQBWDDKEDK-FNZLVDGMSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H/i6D;.
What are the key properties of 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride?
4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 162383208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).