2-chloro-N,N-diethylethanamine;methylsulfinylmethane

C8H20ClNOS — CID 159764523

IUPAC2-chloro-N,N-diethylethanamine;methylsulfinylmethane
SMILESCCN(CC)CCCl.CS(C)=O
InChIInChI=1S/C6H14ClN.C2H6OS/c1-3-8(4-2)6-5-7;1-4(2)3/h3-6H2,1-2H3;1-2H3
InChIKeyNFIFWRWAORLNDW-UHFFFAOYSA-N
MW213.77 g/mol
LogP1.56
Rot. Bonds4

About 2-chloro-N,N-diethylethanamine;methylsulfinylmethane

2-chloro-N,N-diethylethanamine;methylsulfinylmethane (PubChem CID 159764523) has the molecular formula C8H20ClNOS and a molecular weight of 213.77 g/mol. Its IUPAC name is 2-chloro-N,N-diethylethanamine;methylsulfinylmethane.

Molecular Properties

Compound Name2-chloro-N,N-diethylethanamine;methylsulfinylmethane
PubChem CID159764523
Molecular FormulaC8H20ClNOS
Molecular Weight213.77 g/mol
Exact Mass213.10
IUPAC Name2-chloro-N,N-diethylethanamine;methylsulfinylmethane
SMILESCCN(CC)CCCl.CS(C)=O
InChIInChI=1S/C6H14ClN.C2H6OS/c1-3-8(4-2)6-5-7;1-4(2)3/h3-6H2,1-2H3;1-2H3
InChIKeyNFIFWRWAORLNDW-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.77
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
N,N-diethylethanamine;methylsulfinylmethane
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N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030
N,N-diethyl-2-methylsulfinylethanamine
CID 123113037
2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
CID 24837985
N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
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N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883
N-(2-chloroethyl)-N-ethylprop-2-yn-1-amine
CID 55302834
(E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine
CID 107897666
5-chloro-N,N-diethylpentan-1-amine;hydrochloride
CID 86222829
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethylethanamine;methylsulfinylmethane?
The IUPAC name of 2-chloro-N,N-diethylethanamine;methylsulfinylmethane (CID 159764523) is 2-chloro-N,N-diethylethanamine;methylsulfinylmethane.
What is the SMILES notation for 2-chloro-N,N-diethylethanamine;methylsulfinylmethane?
The canonical SMILES for 2-chloro-N,N-diethylethanamine;methylsulfinylmethane is CCN(CC)CCCl.CS(C)=O.
What is the InChIKey of 2-chloro-N,N-diethylethanamine;methylsulfinylmethane?
The InChIKey is NFIFWRWAORLNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN.C2H6OS/c1-3-8(4-2)6-5-7;1-4(2)3/h3-6H2,1-2H3;1-2H3.
What are the key properties of 2-chloro-N,N-diethylethanamine;methylsulfinylmethane?
2-chloro-N,N-diethylethanamine;methylsulfinylmethane has a molecular weight of 213.77 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylethanamine;methylsulfinylmethane is sourced from PubChem (CID 159764523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).