N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride

C9H22ClN3O2S — CID 57276779

IUPACN,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride
SMILESCC(C)C1C[NH+](S(=O)(=O)N(C)C)CCN1.[Cl-]
InChIInChI=1S/C9H21N3O2S.ClH/c1-8(2)9-7-12(6-5-10-9)15(13,14)11(3)4;/h8-10H,5-7H2,1-4H3;1H
InChIKeyKUZHMIWYTFSLRS-UHFFFAOYSA-N
MW271.81 g/mol
LogP-4.69
Rot. Bonds3

About N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride

N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride (PubChem CID 57276779) has the molecular formula C9H22ClN3O2S and a molecular weight of 271.81 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride
PubChem CID57276779
Molecular FormulaC9H22ClN3O2S
Molecular Weight271.81 g/mol
Exact Mass271.11
IUPAC NameN,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride
SMILESCC(C)C1C[NH+](S(=O)(=O)N(C)C)CCN1.[Cl-]
InChIInChI=1S/C9H21N3O2S.ClH/c1-8(2)9-7-12(6-5-10-9)15(13,14)11(3)4;/h8-10H,5-7H2,1-4H3;1H
InChIKeyKUZHMIWYTFSLRS-UHFFFAOYSA-N
XLogP-4.69
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 5-4.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride?
The IUPAC name of N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride (CID 57276779) is N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride.
What is the SMILES notation for N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride?
The canonical SMILES for N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride is CC(C)C1C[NH+](S(=O)(=O)N(C)C)CCN1.[Cl-].
What is the InChIKey of N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride?
The InChIKey is KUZHMIWYTFSLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S.ClH/c1-8(2)9-7-12(6-5-10-9)15(13,14)11(3)4;/h8-10H,5-7H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride?
N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride has a molecular weight of 271.81 g/mol, XLogP of -4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride is sourced from PubChem (CID 57276779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).