N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide

C9H21N3O2S — CID 59826092

IUPACN,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H21N3O2S/c1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4/h9H,5-8H2,1-4H3
InChIKeyLIYZWLSVBWOZLH-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.18
Rot. Bonds3

About N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide

N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 59826092) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide
PubChem CID59826092
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H21N3O2S/c1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4/h9H,5-8H2,1-4H3
InChIKeyLIYZWLSVBWOZLH-UHFFFAOYSA-N
XLogP-0.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide (CID 59826092) is N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide is CC(C)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is LIYZWLSVBWOZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4/h9H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide?
N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 59826092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).