1-tert-butylsulfonylpiperidin-4-amine;hydrochloride

C9H21ClN2O2S — CID 86775469

IUPAC1-tert-butylsulfonylpiperidin-4-amine;hydrochloride
SMILESCC(C)(C)S(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-9(2,3)14(12,13)11-6-4-8(10)5-7-11;/h8H,4-7,10H2,1-3H3;1H
InChIKeyUNOOGPIQLBTLOC-UHFFFAOYSA-N
MW256.80 g/mol
LogP0.96
Rot. Bonds1

About 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride

1-tert-butylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 86775469) has the molecular formula C9H21ClN2O2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-tert-butylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID86775469
Molecular FormulaC9H21ClN2O2S
Molecular Weight256.80 g/mol
Exact Mass256.10
IUPAC Name1-tert-butylsulfonylpiperidin-4-amine;hydrochloride
SMILESCC(C)(C)S(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-9(2,3)14(12,13)11-6-4-8(10)5-7-11;/h8H,4-7,10H2,1-3H3;1H
InChIKeyUNOOGPIQLBTLOC-UHFFFAOYSA-N
XLogP0.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride (CID 86775469) is 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride is CC(C)(C)S(=O)(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is UNOOGPIQLBTLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S.ClH/c1-9(2,3)14(12,13)11-6-4-8(10)5-7-11;/h8H,4-7,10H2,1-3H3;1H.
What are the key properties of 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride?
1-tert-butylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 256.80 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 86775469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).