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

C14H29N5O4S2 — CID 97260419

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

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Related Compounds

1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
CID 55621429
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 122103899
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
4-[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-4-yl]morpholine
CID 166272653
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984041
[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960821

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).