1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide

C19H31N3O3S — CID 126785175

IUPAC1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide
SMILESCC(CNS(=O)(=O)CC1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-17(15-20-26(23,24)16-18-7-13-25-14-8-18)21-9-11-22(12-10-21)19-5-3-2-4-6-19/h2-6,17-18,20H,7-16H2,1H3
InChIKeyDRTBLAZIZXBVNF-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.54
Rot. Bonds7

About 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide

1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide (PubChem CID 126785175) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide
PubChem CID126785175
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide
SMILESCC(CNS(=O)(=O)CC1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-17(15-20-26(23,24)16-18-7-13-25-14-8-18)21-9-11-22(12-10-21)19-5-3-2-4-6-19/h2-6,17-18,20H,7-16H2,1H3
InChIKeyDRTBLAZIZXBVNF-UHFFFAOYSA-N
XLogP1.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide?
The IUPAC name of 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide (CID 126785175) is 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide is CC(CNS(=O)(=O)CC1CCOCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide?
The InChIKey is DRTBLAZIZXBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-17(15-20-26(23,24)16-18-7-13-25-14-8-18)21-9-11-22(12-10-21)19-5-3-2-4-6-19/h2-6,17-18,20H,7-16H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide?
1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide has a molecular weight of 381.54 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 126785175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).