N-[2-(dimethylamino)ethyl]propane-1-sulfonamide

C7H18N2O2S — CID 23507034

IUPACN-[2-(dimethylamino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(C)C
InChIInChI=1S/C7H18N2O2S/c1-4-7-12(10,11)8-5-6-9(2)3/h8H,4-7H2,1-3H3
InChIKeyCDEPIVCNUQKRLK-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.12
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]propane-1-sulfonamide

N-[2-(dimethylamino)ethyl]propane-1-sulfonamide (PubChem CID 23507034) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]propane-1-sulfonamide
PubChem CID23507034
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-[2-(dimethylamino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(C)C
InChIInChI=1S/C7H18N2O2S/c1-4-7-12(10,11)8-5-6-9(2)3/h8H,4-7H2,1-3H3
InChIKeyCDEPIVCNUQKRLK-UHFFFAOYSA-N
XLogP-0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]propane-1-sulfonamide (CID 23507034) is N-[2-(dimethylamino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]propane-1-sulfonamide?
The InChIKey is CDEPIVCNUQKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-7-12(10,11)8-5-6-9(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]propane-1-sulfonamide?
N-[2-(dimethylamino)ethyl]propane-1-sulfonamide has a molecular weight of 194.30 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 23507034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).