N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride

C15H23ClN2O2S — CID 120723735

IUPACN-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCCNC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22N2O2S.ClH/c18-20(19,17-14-6-3-9-16-11-14)15-8-7-12-4-1-2-5-13(12)10-15;/h7-8,10,14,16-17H,1-6,9,11H2;1H/t14-;/m1./s1
InChIKeyJAIBRYMINNDRAO-PFEQFJNWSA-N
MW330.88 g/mol
LogP2.02
Rot. Bonds3

About N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride

N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride (PubChem CID 120723735) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
PubChem CID120723735
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCCNC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22N2O2S.ClH/c18-20(19,17-14-6-3-9-16-11-14)15-8-7-12-4-1-2-5-13(12)10-15;/h7-8,10,14,16-17H,1-6,9,11H2;1H/t14-;/m1./s1
InChIKeyJAIBRYMINNDRAO-PFEQFJNWSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride (CID 120723735) is N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride is Cl.O=S(=O)(N[C@@H]1CCCNC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The InChIKey is JAIBRYMINNDRAO-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c18-20(19,17-14-6-3-9-16-11-14)15-8-7-12-4-1-2-5-13(12)10-15;/h7-8,10,14,16-17H,1-6,9,11H2;1H/t14-;/m1./s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120723735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).