N-(propan-2-ylsulfonylmethyl)ethanamine

C6H15NO2S — CID 117036372

IUPACN-(propan-2-ylsulfonylmethyl)ethanamine
SMILESCCNCS(=O)(=O)C(C)C
InChIInChI=1S/C6H15NO2S/c1-4-7-5-10(8,9)6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyZNTAJAPDHPLXQN-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.38
Rot. Bonds4

About N-(propan-2-ylsulfonylmethyl)ethanamine

N-(propan-2-ylsulfonylmethyl)ethanamine (PubChem CID 117036372) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(propan-2-ylsulfonylmethyl)ethanamine.

Molecular Properties

Compound NameN-(propan-2-ylsulfonylmethyl)ethanamine
PubChem CID117036372
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(propan-2-ylsulfonylmethyl)ethanamine
SMILESCCNCS(=O)(=O)C(C)C
InChIInChI=1S/C6H15NO2S/c1-4-7-5-10(8,9)6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyZNTAJAPDHPLXQN-UHFFFAOYSA-N
XLogP0.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729659
ethylaminomethanesulfonic acid;hydrochloride
CID 174940745
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729966
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
2,3-dimethyl-1-propan-2-ylsulfonylpentane
CID 166894384
N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106729871
N-ethylethanamine;sulfuryl dichloride
CID 174619621
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
N-ethyl-2-methyl-2-(2-propan-2-ylsulfonylethyl)but-3-en-1-amine
CID 106730434
2-(ethylamino)-N-propan-2-ylsulfonylacetamide
CID 103307744

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylsulfonylmethyl)ethanamine?
The IUPAC name of N-(propan-2-ylsulfonylmethyl)ethanamine (CID 117036372) is N-(propan-2-ylsulfonylmethyl)ethanamine.
What is the SMILES notation for N-(propan-2-ylsulfonylmethyl)ethanamine?
The canonical SMILES for N-(propan-2-ylsulfonylmethyl)ethanamine is CCNCS(=O)(=O)C(C)C.
What is the InChIKey of N-(propan-2-ylsulfonylmethyl)ethanamine?
The InChIKey is ZNTAJAPDHPLXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-7-5-10(8,9)6(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(propan-2-ylsulfonylmethyl)ethanamine?
N-(propan-2-ylsulfonylmethyl)ethanamine has a molecular weight of 165.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylsulfonylmethyl)ethanamine is sourced from PubChem (CID 117036372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).