(3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride

C9H15ClN2O2S2 — CID 119031353

IUPAC(3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C9H14N2O2S2.ClH/c10-8-3-1-5-11(7-8)15(12,13)9-4-2-6-14-9;/h2,4,6,8H,1,3,5,7,10H2;1H/t8-;/m1./s1
InChIKeyRQRRZCQPCJTSGI-DDWIOCJRSA-N
MW282.82 g/mol
LogP1.28
Rot. Bonds2

About (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride

(3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119031353) has the molecular formula C9H15ClN2O2S2 and a molecular weight of 282.82 g/mol. Its IUPAC name is (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride
PubChem CID119031353
Molecular FormulaC9H15ClN2O2S2
Molecular Weight282.82 g/mol
Exact Mass282.03
IUPAC Name(3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C9H14N2O2S2.ClH/c10-8-3-1-5-11(7-8)15(12,13)9-4-2-6-14-9;/h2,4,6,8H,1,3,5,7,10H2;1H/t8-;/m1./s1
InChIKeyRQRRZCQPCJTSGI-DDWIOCJRSA-N
XLogP1.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride (CID 119031353) is (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride is Cl.N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is RQRRZCQPCJTSGI-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H14N2O2S2.ClH/c10-8-3-1-5-11(7-8)15(12,13)9-4-2-6-14-9;/h2,4,6,8H,1,3,5,7,10H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride?
(3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119031353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).