3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine

C11H24ClNO2S — CID 106731053

IUPAC3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine
SMILESCCCS(=O)(=O)CCNC(CC)(CC)CCl
InChIInChI=1S/C11H24ClNO2S/c1-4-8-16(14,15)9-7-13-11(5-2,6-3)10-12/h13H,4-10H2,1-3H3
InChIKeyOEIHSWIMZZKIEJ-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.20
Rot. Bonds9

About 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine

3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine (PubChem CID 106731053) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine
PubChem CID106731053
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine
SMILESCCCS(=O)(=O)CCNC(CC)(CC)CCl
InChIInChI=1S/C11H24ClNO2S/c1-4-8-16(14,15)9-7-13-11(5-2,6-3)10-12/h13H,4-10H2,1-3H3
InChIKeyOEIHSWIMZZKIEJ-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.20
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

1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine
CID 106731043
1-chloro-2-(chloromethyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 107867012
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
1-propylsulfonylpropane
CID 11709
3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
CID 106724525
N-[1-chloro-2-(chloromethyl)butan-2-yl]heptan-1-amine
CID 107867089
3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine
CID 65030260
3,3-bis(chloromethyl)-1-propylsulfonylhexane
CID 106734849
2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol
CID 62517259
1-chloro-2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 65024453
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760
N-(2-propylsulfonylethyl)acetamide
CID 142065321

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine?
The IUPAC name of 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine (CID 106731053) is 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine.
What is the SMILES notation for 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine?
The canonical SMILES for 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine is CCCS(=O)(=O)CCNC(CC)(CC)CCl.
What is the InChIKey of 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine?
The InChIKey is OEIHSWIMZZKIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-4-8-16(14,15)9-7-13-11(5-2,6-3)10-12/h13H,4-10H2,1-3H3.
What are the key properties of 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine?
3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine has a molecular weight of 269.84 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine is sourced from PubChem (CID 106731053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).