4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine

C16H33NO3S — CID 106730380

IUPAC4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCC(CCS(=O)(=O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C16H33NO3S/c1-16(2,3)21(18,19)12-9-15(13-17-10-11-20-4)14-7-5-6-8-14/h14-15,17H,5-13H2,1-4H3
InChIKeyQKAMWNKEWARDQD-UHFFFAOYSA-N
MW319.51 g/mol
LogP2.63
Rot. Bonds9

About 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine

4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine (PubChem CID 106730380) has the molecular formula C16H33NO3S and a molecular weight of 319.51 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine
PubChem CID106730380
Molecular FormulaC16H33NO3S
Molecular Weight319.51 g/mol
Exact Mass319.22
IUPAC Name4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCC(CCS(=O)(=O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C16H33NO3S/c1-16(2,3)21(18,19)12-9-15(13-17-10-11-20-4)14-7-5-6-8-14/h14-15,17H,5-13H2,1-4H3
InChIKeyQKAMWNKEWARDQD-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-(2-methoxyethyl)octan-1-amine
CID 112570187
2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine
CID 82933057
2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138862
2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139451
2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol
CID 165464562
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 112570185
2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 116523832
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053577
N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methoxyethanamine
CID 106730283
2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine (CID 106730380) is 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine is COCCNCC(CCS(=O)(=O)C(C)(C)C)C1CCCC1.
What is the InChIKey of 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is QKAMWNKEWARDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3S/c1-16(2,3)21(18,19)12-9-15(13-17-10-11-20-4)14-7-5-6-8-14/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine?
4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 319.51 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 106730380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).