N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide

C12H26N4O4S2 — CID 46595930

IUPACN,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1
InChIInChI=1S/C12H26N4O4S2/c1-12-5-4-6-16(11-12)22(19,20)15-9-7-14(8-10-15)21(17,18)13(2)3/h12H,4-11H2,1-3H3
InChIKeyRQLYBINZMVCASN-UHFFFAOYSA-N
MW354.50 g/mol
LogP-0.61
Rot. Bonds4

About N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide

N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide (PubChem CID 46595930) has the molecular formula C12H26N4O4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide
PubChem CID46595930
Molecular FormulaC12H26N4O4S2
Molecular Weight354.50 g/mol
Exact Mass354.14
IUPAC NameN,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1
InChIInChI=1S/C12H26N4O4S2/c1-12-5-4-6-16(11-12)22(19,20)15-9-7-14(8-10-15)21(17,18)13(2)3/h12H,4-11H2,1-3H3
InChIKeyRQLYBINZMVCASN-UHFFFAOYSA-N
XLogP-0.61
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide (CID 46595930) is N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide is CC1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1.
What is the InChIKey of N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide?
The InChIKey is RQLYBINZMVCASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O4S2/c1-12-5-4-6-16(11-12)22(19,20)15-9-7-14(8-10-15)21(17,18)13(2)3/h12H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide?
N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of -0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpiperazine-1-sulfonamide is sourced from PubChem (CID 46595930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).