N-(2-ethylsulfonylethyl)propan-2-amine

C7H17NO2S — CID 21034305

IUPACN-(2-ethylsulfonylethyl)propan-2-amine
SMILESCCS(=O)(=O)CCNC(C)C
InChIInChI=1S/C7H17NO2S/c1-4-11(9,10)6-5-8-7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyXPCQWVQAEAVZOK-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.42
Rot. Bonds5

About N-(2-ethylsulfonylethyl)propan-2-amine

N-(2-ethylsulfonylethyl)propan-2-amine (PubChem CID 21034305) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)propan-2-amine
PubChem CID21034305
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(2-ethylsulfonylethyl)propan-2-amine
SMILESCCS(=O)(=O)CCNC(C)C
InChIInChI=1S/C7H17NO2S/c1-4-11(9,10)6-5-8-7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyXPCQWVQAEAVZOK-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54592895
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CID 2736805
CID 2736805
CID 54593046
CID 54593046
CID 54593119
CID 54593119
CID 3856040
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CID 16248236
CID 16248236
CID 60147188
CID 60147188
CID 60708370
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CID 60712135
CID 60712135

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)propan-2-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)propan-2-amine (CID 21034305) is N-(2-ethylsulfonylethyl)propan-2-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)propan-2-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)propan-2-amine is CCS(=O)(=O)CCNC(C)C.
What is the InChIKey of N-(2-ethylsulfonylethyl)propan-2-amine?
The InChIKey is XPCQWVQAEAVZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-11(9,10)6-5-8-7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)propan-2-amine?
N-(2-ethylsulfonylethyl)propan-2-amine has a molecular weight of 179.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 21034305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).