Skip to content

1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine

C14H29N5O4S2 — CID 97260419

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
SMILESC[C@H]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1
InChIInChI=1S/C14H29N5O4S2/c1-14-3-4-19(13-14)25(22,23)18-11-9-17(10-12-18)24(20,21)16-7-5-15(2)6-8-16/h14H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyKCGJLOZVHXDNKM-AWEZNQCLSA-N
MW395.55 g/mol
LogP-1.32
Rot. Bonds4

About 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine

1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine (PubChem CID 97260419) has the molecular formula C14H29N5O4S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
PubChem CID97260419
Molecular FormulaC14H29N5O4S2
Molecular Weight395.55 g/mol
Exact Mass395.17
IUPAC Name1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
SMILESC[C@H]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1
InChIInChI=1S/C14H29N5O4S2/c1-14-3-4-19(13-14)25(22,23)18-11-9-17(10-12-18)24(20,21)16-7-5-15(2)6-8-16/h14H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyKCGJLOZVHXDNKM-AWEZNQCLSA-N
XLogP-1.32
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine?
The IUPAC name of 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine (CID 97260419) is 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine is C[C@H]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1.
What is the InChIKey of 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine?
The InChIKey is KCGJLOZVHXDNKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29N5O4S2/c1-14-3-4-19(13-14)25(22,23)18-11-9-17(10-12-18)24(20,21)16-7-5-15(2)6-8-16/h14H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine?
1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine has a molecular weight of 395.55 g/mol, XLogP of -1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine is sourced from PubChem (CID 97260419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.