3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide

C12H27ClN2O2S — CID 61248209

IUPAC3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)CCCCl)N(C)C
InChIInChI=1S/C12H27ClN2O2S/c1-5-11(6-2)12(15(3)4)10-14-18(16,17)9-7-8-13/h11-12,14H,5-10H2,1-4H3
InChIKeyHCLSSFLYPUGTGQ-UHFFFAOYSA-N
MW298.88 g/mol
LogP1.90
Rot. Bonds10

About 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide

3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide (PubChem CID 61248209) has the molecular formula C12H27ClN2O2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide
PubChem CID61248209
Molecular FormulaC12H27ClN2O2S
Molecular Weight298.88 g/mol
Exact Mass298.15
IUPAC Name3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)CCCCl)N(C)C
InChIInChI=1S/C12H27ClN2O2S/c1-5-11(6-2)12(15(3)4)10-14-18(16,17)9-7-8-13/h11-12,14H,5-10H2,1-4H3
InChIKeyHCLSSFLYPUGTGQ-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 51.90
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-[2-(dimethylamino)-3-methylbutyl]propane-1-sulfonamide
CID 61250449
4-chloro-N-(3-ethylpentan-2-yl)butane-1-sulfonamide
CID 116816202
3-chloro-N-[2-(dimethylamino)-2-methylpropyl]propane-1-sulfonamide
CID 61249127
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide
CID 83023813
2-chloro-N-(2-methylbutyl)ethanesulfonamide
CID 107651892
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-sulfonamide
CID 61250168
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide
CID 61250551
3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 43653973
3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114943825
3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide (CID 61248209) is 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide is CCC(CC)C(CNS(=O)(=O)CCCCl)N(C)C.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide?
The InChIKey is HCLSSFLYPUGTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClN2O2S/c1-5-11(6-2)12(15(3)4)10-14-18(16,17)9-7-8-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide?
3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide has a molecular weight of 298.88 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide is sourced from PubChem (CID 61248209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).