N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine

C8H18ClNO4S2 — CID 54503087

IUPACN-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCN(CCCl)CCS(C)(=O)=O
InChIInChI=1S/C8H18ClNO4S2/c1-15(11,12)7-5-10(4-3-9)6-8-16(2,13)14/h3-8H2,1-2H3
InChIKeyYDUOJIHCXGHOBA-UHFFFAOYSA-N
MW291.82 g/mol
LogP-0.38
Rot. Bonds8

About N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine

N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 54503087) has the molecular formula C8H18ClNO4S2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine
PubChem CID54503087
Molecular FormulaC8H18ClNO4S2
Molecular Weight291.82 g/mol
Exact Mass291.04
IUPAC NameN-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCN(CCCl)CCS(C)(=O)=O
InChIInChI=1S/C8H18ClNO4S2/c1-15(11,12)7-5-10(4-3-9)6-8-16(2,13)14/h3-8H2,1-2H3
InChIKeyYDUOJIHCXGHOBA-UHFFFAOYSA-N
XLogP-0.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-methyl-2-methylsulfonylethanamine
CID 13628401
N-(2-chloroethyl)-N-methyl-2-methylsulfonylethanamine;hydrochloride
CID 13628402
2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine
CID 23520322
N-chloro-2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]ethanamine
CID 53895987
N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine;hydrochloride
CID 86131634
1-chloro-N,N-bis(2-methylsulfonylethyl)ethanamine;hydrochloride
CID 88689838
2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine
CID 139936011
2-chloro-N,N-diethyl-2-methylsulfonylethanamine
CID 140990590
N-(2-chloroethyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 63386698
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)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine (CID 54503087) is N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine is CS(=O)(=O)CCN(CCCl)CCS(C)(=O)=O.
What is the InChIKey of N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is YDUOJIHCXGHOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO4S2/c1-15(11,12)7-5-10(4-3-9)6-8-16(2,13)14/h3-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine?
N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 291.82 g/mol, XLogP of -0.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 54503087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).