2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine

C13H27NO2S — CID 114108013

IUPAC2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine
SMILESCCC1(CNCCS(=O)(=O)C(C)(C)C)CCC1
InChIInChI=1S/C13H27NO2S/c1-5-13(7-6-8-13)11-14-9-10-17(15,16)12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyGNXGHNUQFLTVBP-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds6

About 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine

2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine (PubChem CID 114108013) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine
PubChem CID114108013
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine
SMILESCCC1(CNCCS(=O)(=O)C(C)(C)C)CCC1
InChIInChI=1S/C13H27NO2S/c1-5-13(7-6-8-13)11-14-9-10-17(15,16)12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyGNXGHNUQFLTVBP-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
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

2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
CID 106731237
N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114125061
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106729855
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 106729992
4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
CID 114125198
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine
CID 103710245
1-ethyl-1-[(sulfamoylamino)methyl]cyclopentane
CID 71918763
N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methoxyethanamine
CID 106730283
N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114125181

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine (CID 114108013) is 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine is CCC1(CNCCS(=O)(=O)C(C)(C)C)CCC1.
What is the InChIKey of 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine?
The InChIKey is GNXGHNUQFLTVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-13(7-6-8-13)11-14-9-10-17(15,16)12(2,3)4/h14H,5-11H2,1-4H3.
What are the key properties of 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine?
2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 114108013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).