N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine

C10H22ClNO2S — CID 63387353

IUPACN-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine
SMILESCCC(CC)N(CCCl)CCS(C)(=O)=O
InChIInChI=1S/C10H22ClNO2S/c1-4-10(5-2)12(7-6-11)8-9-15(3,13)14/h10H,4-9H2,1-3H3
InChIKeyVSIPKWRQETZDKH-UHFFFAOYSA-N
MW255.81 g/mol
LogP1.76
Rot. Bonds8

About N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine

N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine (PubChem CID 63387353) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine
PubChem CID63387353
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC NameN-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine
SMILESCCC(CC)N(CCCl)CCS(C)(=O)=O
InChIInChI=1S/C10H22ClNO2S/c1-4-10(5-2)12(7-6-11)8-9-15(3,13)14/h10H,4-9H2,1-3H3
InChIKeyVSIPKWRQETZDKH-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Chloroethyl)-2,6-dimethylthiomorpholine 1,1-dioxide
CID 118435726
2-chloro-N,N-diethyl-2-methylsulfonylethanamine
CID 140990590
3-((2-Chloroethyl)dimethylammonio)propane-1-sulfonate
CID 170896575
N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclohexanamine
CID 55182778
N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide
CID 55187273
N-(2-chloroethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 61286311
N-(3-chloropropyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 61286312
N-(2-chloroethyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 63386698
N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine
CID 63386703
N-(2-chloroethyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 63386832
N-(2-chloroethyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 63386948
N-(2-chloroethyl)-N-ethyl-2-methylsulfonylethanamine
CID 63386989

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine (CID 63387353) is N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine is CCC(CC)N(CCCl)CCS(C)(=O)=O.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine?
The InChIKey is VSIPKWRQETZDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-4-10(5-2)12(7-6-11)8-9-15(3,13)14/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine?
N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine has a molecular weight of 255.81 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methylsulfonylethyl)pentan-3-amine is sourced from PubChem (CID 63387353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).