N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide

C12H28N4O4S2 — CID 3435714

IUPACN-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCN(CCCNS(C)(=O)=O)CC1
InChIInChI=1S/C12H28N4O4S2/c1-21(17,18)13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-22(2,19)20/h13-14H,3-12H2,1-2H3
InChIKeyZWIMCBODVWOKHL-UHFFFAOYSA-N
MW356.51 g/mol
LogP-1.52
Rot. Bonds10

About N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide

N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide (PubChem CID 3435714) has the molecular formula C12H28N4O4S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide
PubChem CID3435714
Molecular FormulaC12H28N4O4S2
Molecular Weight356.51 g/mol
Exact Mass356.16
IUPAC NameN-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCN(CCCNS(C)(=O)=O)CC1
InChIInChI=1S/C12H28N4O4S2/c1-21(17,18)13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-22(2,19)20/h13-14H,3-12H2,1-2H3
InChIKeyZWIMCBODVWOKHL-UHFFFAOYSA-N
XLogP-1.52
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide (CID 3435714) is N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CCN(CCCNS(C)(=O)=O)CC1.
What is the InChIKey of N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide?
The InChIKey is ZWIMCBODVWOKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O4S2/c1-21(17,18)13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-22(2,19)20/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide?
N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide has a molecular weight of 356.51 g/mol, XLogP of -1.52, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 3435714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).