3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide

C11H25ClN2O2S — CID 43653973

IUPAC3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide
SMILESCC(C)N(CCNS(=O)(=O)CCCCl)C(C)C
InChIInChI=1S/C11H25ClN2O2S/c1-10(2)14(11(3)4)8-7-13-17(15,16)9-5-6-12/h10-11,13H,5-9H2,1-4H3
InChIKeyZZPBOJDLCAOWGO-UHFFFAOYSA-N
MW284.85 g/mol
LogP1.65
Rot. Bonds9

About 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide

3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide (PubChem CID 43653973) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide
PubChem CID43653973
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide
SMILESCC(C)N(CCNS(=O)(=O)CCCCl)C(C)C
InChIInChI=1S/C11H25ClN2O2S/c1-10(2)14(11(3)4)8-7-13-17(15,16)9-5-6-12/h10-11,13H,5-9H2,1-4H3
InChIKeyZZPBOJDLCAOWGO-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217
3-chloro-N-[2-(dimethylamino)-3-methylbutyl]propane-1-sulfonamide
CID 61250449
4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide
CID 105055855
4-chloro-N-(3-methylsulfanylbutyl)butane-1-sulfonamide
CID 116816563
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
3-chloro-N-[2-(dimethylamino)-2-methylpropyl]propane-1-sulfonamide
CID 61249127
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide
CID 61248209
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
CID 107322763
3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 61250445
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide (CID 43653973) is 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide is CC(C)N(CCNS(=O)(=O)CCCCl)C(C)C.
What is the InChIKey of 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide?
The InChIKey is ZZPBOJDLCAOWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClN2O2S/c1-10(2)14(11(3)4)8-7-13-17(15,16)9-5-6-12/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide?
3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide has a molecular weight of 284.85 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 43653973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).