1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane

C6H15ClN2O2S — CID 65036782

IUPAC1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane
SMILESCC(CCl)CNS(=O)(=O)N(C)C
InChIInChI=1S/C6H15ClN2O2S/c1-6(4-7)5-8-12(10,11)9(2)3/h6,8H,4-5H2,1-3H3
InChIKeyPKDQLYJNAYQBQS-UHFFFAOYSA-N
MW214.72 g/mol
LogP0.26
Rot. Bonds5

About 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane

1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane (PubChem CID 65036782) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane.

Molecular Properties

Compound Name1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane
PubChem CID65036782
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane
SMILESCC(CCl)CNS(=O)(=O)N(C)C
InChIInChI=1S/C6H15ClN2O2S/c1-6(4-7)5-8-12(10,11)9(2)3/h6,8H,4-5H2,1-3H3
InChIKeyPKDQLYJNAYQBQS-UHFFFAOYSA-N
XLogP0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane?
The IUPAC name of 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane (CID 65036782) is 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane.
What is the SMILES notation for 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane?
The canonical SMILES for 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane is CC(CCl)CNS(=O)(=O)N(C)C.
What is the InChIKey of 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane?
The InChIKey is PKDQLYJNAYQBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClN2O2S/c1-6(4-7)5-8-12(10,11)9(2)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane?
1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane has a molecular weight of 214.72 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane is sourced from PubChem (CID 65036782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).