N-(2-propan-2-ylsulfonylethyl)propan-1-amine

C8H19NO2S — CID 64676405

IUPACN-(2-propan-2-ylsulfonylethyl)propan-1-amine
SMILESCCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-4-5-9-6-7-12(10,11)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyTZHLUJRSJVNUAP-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.81
Rot. Bonds6

About N-(2-propan-2-ylsulfonylethyl)propan-1-amine

N-(2-propan-2-ylsulfonylethyl)propan-1-amine (PubChem CID 64676405) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)propan-1-amine
PubChem CID64676405
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(2-propan-2-ylsulfonylethyl)propan-1-amine
SMILESCCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-4-5-9-6-7-12(10,11)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyTZHLUJRSJVNUAP-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724497
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylethyl)propan-1-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)propan-1-amine (CID 64676405) is N-(2-propan-2-ylsulfonylethyl)propan-1-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)propan-1-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)propan-1-amine is CCCNCCS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)propan-1-amine?
The InChIKey is TZHLUJRSJVNUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-5-9-6-7-12(10,11)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(2-propan-2-ylsulfonylethyl)propan-1-amine?
N-(2-propan-2-ylsulfonylethyl)propan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 64676405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).