N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide

C10H24N2O2S — CID 60641806

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C10H24N2O2S/c1-6-7-15(13,14)11-8-10(2,3)9-12(4)5/h11H,6-9H2,1-5H3
InChIKeyNFCYLZFQAMRRLJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.90
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide (PubChem CID 60641806) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide
PubChem CID60641806
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C10H24N2O2S/c1-6-7-15(13,14)11-8-10(2,3)9-12(4)5/h11H,6-9H2,1-5H3
InChIKeyNFCYLZFQAMRRLJ-UHFFFAOYSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide (CID 60641806) is N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide?
The InChIKey is NFCYLZFQAMRRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-6-7-15(13,14)11-8-10(2,3)9-12(4)5/h11H,6-9H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide has a molecular weight of 236.38 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]propane-1-sulfonamide is sourced from PubChem (CID 60641806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).