N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide

C7H17N3O4S2 — CID 47164938

IUPACN,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H17N3O4S2/c1-8(2)16(13,14)10-6-4-9(5-7-10)15(3,11)12/h4-7H2,1-3H3
InChIKeyHWNYPBWVNYSLOQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.63
Rot. Bonds3

About N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide

N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide (PubChem CID 47164938) has the molecular formula C7H17N3O4S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide
PubChem CID47164938
Molecular FormulaC7H17N3O4S2
Molecular Weight271.36 g/mol
Exact Mass271.07
IUPAC NameN,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H17N3O4S2/c1-8(2)16(13,14)10-6-4-9(5-7-10)15(3,11)12/h4-7H2,1-3H3
InChIKeyHWNYPBWVNYSLOQ-UHFFFAOYSA-N
XLogP-1.63
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.63
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-methylsulfonylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide (CID 47164938) is N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide?
The InChIKey is HWNYPBWVNYSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S2/c1-8(2)16(13,14)10-6-4-9(5-7-10)15(3,11)12/h4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide?
N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide has a molecular weight of 271.36 g/mol, XLogP of -1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-methylsulfonylpiperazine-1-sulfonamide is sourced from PubChem (CID 47164938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).