N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide

C16H25N3O3S — CID 95552114

IUPACN-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESC[C@@H]1CN(c2ccccc2)CCN1C(=O)CCN(C)S(C)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-14-13-18(15-7-5-4-6-8-15)11-12-19(14)16(20)9-10-17(2)23(3,21)22/h4-8,14H,9-13H2,1-3H3/t14-/m1/s1
InChIKeyHFIMHCSRACVABB-CQSZACIVSA-N
MW339.46 g/mol
LogP1.01
Rot. Bonds5

About N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide

N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide (PubChem CID 95552114) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide
PubChem CID95552114
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESC[C@@H]1CN(c2ccccc2)CCN1C(=O)CCN(C)S(C)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-14-13-18(15-7-5-4-6-8-15)11-12-19(14)16(20)9-10-17(2)23(3,21)22/h4-8,14H,9-13H2,1-3H3/t14-/m1/s1
InChIKeyHFIMHCSRACVABB-CQSZACIVSA-N
XLogP1.01
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide (CID 95552114) is N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide is C[C@@H]1CN(c2ccccc2)CCN1C(=O)CCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide?
The InChIKey is HFIMHCSRACVABB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-14-13-18(15-7-5-4-6-8-15)11-12-19(14)16(20)9-10-17(2)23(3,21)22/h4-8,14H,9-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide?
N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 95552114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).