3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide

C12H27ClN2O2S — CID 43654049

IUPAC3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)CCCCl
InChIInChI=1S/C12H27ClN2O2S/c1-4-15(5-2)10-6-8-12(3)14-18(16,17)11-7-9-13/h12,14H,4-11H2,1-3H3
InChIKeyXZOISLCMIHSQDJ-UHFFFAOYSA-N
MW298.88 g/mol
LogP2.05
Rot. Bonds11

About 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide

3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide (PubChem CID 43654049) has the molecular formula C12H27ClN2O2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
PubChem CID43654049
Molecular FormulaC12H27ClN2O2S
Molecular Weight298.88 g/mol
Exact Mass298.15
IUPAC Name3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)CCCCl
InChIInChI=1S/C12H27ClN2O2S/c1-4-15(5-2)10-6-8-12(3)14-18(16,17)11-7-9-13/h12,14H,4-11H2,1-3H3
InChIKeyXZOISLCMIHSQDJ-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 52.05
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

N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 106059732
N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
CID 7600988
N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521746
2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
CID 61454676
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
CID 7618202
1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine
CID 64629299
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
CID 98788188
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide (CID 43654049) is 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide?
The InChIKey is XZOISLCMIHSQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClN2O2S/c1-4-15(5-2)10-6-8-12(3)14-18(16,17)11-7-9-13/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide?
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide has a molecular weight of 298.88 g/mol, XLogP of 2.05, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 43654049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).