N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide

C15H29NO3S2 — CID 53329301

IUPACN-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide
SMILESCC(C)(C)SCCNC(=O)C(C)(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C15H29NO3S2/c1-14(2,3)20-11-10-16-13(17)15(4,5)21(18,19)12-8-6-7-9-12/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyOZEOMCVKTZGRDZ-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.77
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide

N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide (PubChem CID 53329301) has the molecular formula C15H29NO3S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide
PubChem CID53329301
Molecular FormulaC15H29NO3S2
Molecular Weight335.54 g/mol
Exact Mass335.16
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide
SMILESCC(C)(C)SCCNC(=O)C(C)(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C15H29NO3S2/c1-14(2,3)20-11-10-16-13(17)15(4,5)21(18,19)12-8-6-7-9-12/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyOZEOMCVKTZGRDZ-UHFFFAOYSA-N
XLogP2.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide (CID 53329301) is N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide is CC(C)(C)SCCNC(=O)C(C)(C)S(=O)(=O)C1CCCC1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide?
The InChIKey is OZEOMCVKTZGRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S2/c1-14(2,3)20-11-10-16-13(17)15(4,5)21(18,19)12-8-6-7-9-12/h12H,6-11H2,1-5H3,(H,16,17).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide?
N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide has a molecular weight of 335.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-cyclopentylsulfonyl-2-methylpropanamide is sourced from PubChem (CID 53329301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).