N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide

C15H26N4O2S — CID 71999934

IUPACN-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCN(C(C)c2cccnc2)CC1
InChIInChI=1S/C15H26N4O2S/c1-14(15-5-3-6-17-13-15)19-10-8-18(9-11-19)7-4-12-22(20,21)16-2/h3,5-6,13-14,16H,4,7-12H2,1-2H3
InChIKeyLLPQEYWWIRSMDQ-UHFFFAOYSA-N
MW326.47 g/mol
LogP0.70
Rot. Bonds7

About N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide

N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide (PubChem CID 71999934) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide
PubChem CID71999934
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCN(C(C)c2cccnc2)CC1
InChIInChI=1S/C15H26N4O2S/c1-14(15-5-3-6-17-13-15)19-10-8-18(9-11-19)7-4-12-22(20,21)16-2/h3,5-6,13-14,16H,4,7-12H2,1-2H3
InChIKeyLLPQEYWWIRSMDQ-UHFFFAOYSA-N
XLogP0.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide?
The IUPAC name of N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide (CID 71999934) is N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide is CNS(=O)(=O)CCCN1CCN(C(C)c2cccnc2)CC1.
What is the InChIKey of N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide?
The InChIKey is LLPQEYWWIRSMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-14(15-5-3-6-17-13-15)19-10-8-18(9-11-19)7-4-12-22(20,21)16-2/h3,5-6,13-14,16H,4,7-12H2,1-2H3.
What are the key properties of N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide?
N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 71999934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).