N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide

C19H26N2O2S — CID 16887554

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H26N2O2S/c1-15(2)21-12-10-16(11-13-21)14-20-24(22,23)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15-16,20H,10-14H2,1-2H3
InChIKeyJYIJBGCNHYTRHU-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.24
Rot. Bonds5

About N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide

N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide (PubChem CID 16887554) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide
PubChem CID16887554
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H26N2O2S/c1-15(2)21-12-10-16(11-13-21)14-20-24(22,23)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15-16,20H,10-14H2,1-2H3
InChIKeyJYIJBGCNHYTRHU-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide (CID 16887554) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide?
The InChIKey is JYIJBGCNHYTRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-15(2)21-12-10-16(11-13-21)14-20-24(22,23)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15-16,20H,10-14H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide?
N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 16887554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).