4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine

C9H20ClNO2S — CID 106121689

IUPAC4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
SMILESCCS(=O)(=O)CCNCCCC(C)Cl
InChIInChI=1S/C9H20ClNO2S/c1-3-14(12,13)8-7-11-6-4-5-9(2)10/h9,11H,3-8H2,1-2H3
InChIKeyYYZURXPNKCYGBD-UHFFFAOYSA-N
MW241.78 g/mol
LogP1.42
Rot. Bonds8

About 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine

4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine (PubChem CID 106121689) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
PubChem CID106121689
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
SMILESCCS(=O)(=O)CCNCCCC(C)Cl
InChIInChI=1S/C9H20ClNO2S/c1-3-14(12,13)8-7-11-6-4-5-9(2)10/h9,11H,3-8H2,1-2H3
InChIKeyYYZURXPNKCYGBD-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butylsulfonylethyl)-4-methylpentan-1-amine
CID 106512538
N-(4-chloropentyl)nonan-1-amine
CID 106121562
N'-(2-ethylsulfonylethyl)propane-1,3-diamine
CID 62273153
N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
CID 106010216
4-chloro-N-(2-ethoxyethyl)pentan-1-amine
CID 106121607
N-butyl-3-chlorobutan-1-amine
CID 65025010
N-(2-ethylsulfonylethyl)-3-methylsulfanylpropan-1-amine
CID 63964934
N-[2-(2-methylpropylsulfonyl)ethyl]hexan-1-amine
CID 106512908
4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 106122021
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine?
The IUPAC name of 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine (CID 106121689) is 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine.
What is the SMILES notation for 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine?
The canonical SMILES for 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine is CCS(=O)(=O)CCNCCCC(C)Cl.
What is the InChIKey of 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine?
The InChIKey is YYZURXPNKCYGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-3-14(12,13)8-7-11-6-4-5-9(2)10/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine?
4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine has a molecular weight of 241.78 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine is sourced from PubChem (CID 106121689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).