2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide

C6H15ClN2O2S — CID 87450661

IUPAC2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CC(C)(C)NCl
InChIInChI=1S/C6H15ClN2O2S/c1-6(2,8-7)5-12(10,11)9(3)4/h8H,5H2,1-4H3
InChIKeyPNHYVWGWSQGHDP-UHFFFAOYSA-N
MW214.72 g/mol
LogP0.40
Rot. Bonds4

About 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide

2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide (PubChem CID 87450661) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide
PubChem CID87450661
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CC(C)(C)NCl
InChIInChI=1S/C6H15ClN2O2S/c1-6(2,8-7)5-12(10,11)9(3)4/h8H,5H2,1-4H3
InChIKeyPNHYVWGWSQGHDP-UHFFFAOYSA-N
XLogP0.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide?
The IUPAC name of 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide (CID 87450661) is 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide.
What is the SMILES notation for 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide?
The canonical SMILES for 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CC(C)(C)NCl.
What is the InChIKey of 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide?
The InChIKey is PNHYVWGWSQGHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClN2O2S/c1-6(2,8-7)5-12(10,11)9(3)4/h8H,5H2,1-4H3.
What are the key properties of 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide?
2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide has a molecular weight of 214.72 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-N,N,2-trimethylpropane-1-sulfonamide is sourced from PubChem (CID 87450661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).