(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide

C22H25N3O2S — CID 11875077

IUPAC(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide
SMILESCOc1ccc2ccccc2c1[S@@](=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H25N3O2S/c1-24-13-15-25(16-14-24)19-10-8-18(9-11-19)23-28(26)22-20-6-4-3-5-17(20)7-12-21(22)27-2/h3-12,23H,13-16H2,1-2H3/t28-/m1/s1
InChIKeyALIMEBYZQDJQLY-MUUNZHRXSA-N
MW395.53 g/mol
LogP3.73
Rot. Bonds5

About (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide

(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide (PubChem CID 11875077) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide.

Molecular Properties

Compound Name(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide
PubChem CID11875077
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide
SMILESCOc1ccc2ccccc2c1[S@@](=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H25N3O2S/c1-24-13-15-25(16-14-24)19-10-8-18(9-11-19)23-28(26)22-20-6-4-3-5-17(20)7-12-21(22)27-2/h3-12,23H,13-16H2,1-2H3/t28-/m1/s1
InChIKeyALIMEBYZQDJQLY-MUUNZHRXSA-N
XLogP3.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide?
The IUPAC name of (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide (CID 11875077) is (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide.
What is the SMILES notation for (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide?
The canonical SMILES for (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide is COc1ccc2ccccc2c1[S@@](=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide?
The InChIKey is ALIMEBYZQDJQLY-MUUNZHRXSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-24-13-15-25(16-14-24)19-10-8-18(9-11-19)23-28(26)22-20-6-4-3-5-17(20)7-12-21(22)27-2/h3-12,23H,13-16H2,1-2H3/t28-/m1/s1.
What are the key properties of (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide?
(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide has a molecular weight of 395.53 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide is sourced from PubChem (CID 11875077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).