1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride

C9H21ClN2O2S — CID 71758266

IUPAC1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCC(C)CS(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-8(2)7-14(12,13)11-5-3-9(10)4-6-11;/h8-9H,3-7,10H2,1-2H3;1H
InChIKeyDBOAWZFNNLBTAI-UHFFFAOYSA-N
MW256.80 g/mol
LogP0.82
Rot. Bonds3

About 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride

1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride (PubChem CID 71758266) has the molecular formula C9H21ClN2O2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride
PubChem CID71758266
Molecular FormulaC9H21ClN2O2S
Molecular Weight256.80 g/mol
Exact Mass256.10
IUPAC Name1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCC(C)CS(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-8(2)7-14(12,13)11-5-3-9(10)4-6-11;/h8-9H,3-7,10H2,1-2H3;1H
InChIKeyDBOAWZFNNLBTAI-UHFFFAOYSA-N
XLogP0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperidin-4-yl)-1lambda6,2-thiazolidine-1,1-dione
CID 53256087
{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
4-Amino-1-ethanesulfonylpiperidine
CID 16776186
1-Methanesulfonylpiperidin-4-amine hydrochloride
CID 17221636
1-(Propane-2-sulfonyl)piperidin-4-amine hydrochloride
CID 21090391
N-methyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 45792536
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride
CID 54758999
N,N-dimethylpiperidine-4-sulfonamide hydrochloride
CID 56773450
N-(piperidin-4-yl)cyclopropanesulfonamide hydrochloride
CID 70895832
1-(Propane-1-sulfonyl)piperidin-4-amine
CID 16774109
1-(Cyclopropylsulfonyl)piperidin-4-amine
CID 60145910

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride (CID 71758266) is 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride is CC(C)CS(=O)(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride?
The InChIKey is DBOAWZFNNLBTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S.ClH/c1-8(2)7-14(12,13)11-5-3-9(10)4-6-11;/h8-9H,3-7,10H2,1-2H3;1H.
What are the key properties of 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride?
1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride has a molecular weight of 256.80 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 71758266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).