(2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide

C9H22N4O4S2 — CID 7372045

IUPAC(2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide
SMILESC[C@H]1CN(S(=O)(=O)N(C)C)CCN1S(=O)(=O)N(C)C
InChIInChI=1S/C9H22N4O4S2/c1-9-8-12(18(14,15)10(2)3)6-7-13(9)19(16,17)11(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyNCTCFUATJONAFK-VIFPVBQESA-N
MW314.43 g/mol
LogP-1.39
Rot. Bonds4

About (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide

(2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide (PubChem CID 7372045) has the molecular formula C9H22N4O4S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide.

Molecular Properties

Compound Name(2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide
PubChem CID7372045
Molecular FormulaC9H22N4O4S2
Molecular Weight314.43 g/mol
Exact Mass314.11
IUPAC Name(2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide
SMILESC[C@H]1CN(S(=O)(=O)N(C)C)CCN1S(=O)(=O)N(C)C
InChIInChI=1S/C9H22N4O4S2/c1-9-8-12(18(14,15)10(2)3)6-7-13(9)19(16,17)11(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyNCTCFUATJONAFK-VIFPVBQESA-N
XLogP-1.39
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide?
The IUPAC name of (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide (CID 7372045) is (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide.
What is the SMILES notation for (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide?
The canonical SMILES for (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide is C[C@H]1CN(S(=O)(=O)N(C)C)CCN1S(=O)(=O)N(C)C.
What is the InChIKey of (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide?
The InChIKey is NCTCFUATJONAFK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H22N4O4S2/c1-9-8-12(18(14,15)10(2)3)6-7-13(9)19(16,17)11(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide?
(2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide has a molecular weight of 314.43 g/mol, XLogP of -1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,1-N,4-N,4-N,2-pentamethylpiperazine-1,4-disulfonamide is sourced from PubChem (CID 7372045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).